PubChemLite - 1365267-27-1 (C25H25Cl2FN6O3)

Structural Information

Molecular Formula

SMILES

C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=CC(=NN=C2N)C(=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C

InChI

InChI=1S/C25H25Cl2FN6O3/c1-14(21-17(26)7-8-18(28)22(21)27)37-20-13-19(31-32-23(20)29)24(35)30-16-5-3-15(4-6-16)25(36)34-11-9-33(2)10-12-34/h3-8,13-14H,9-12H2,1-2H3,(H2,29,32)(H,30,35)/t14-/m1/s1

InChIKey

ONPGOSVDVDPBCY-CQSZACIVSA-N

Compound name

6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridazine-3-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	547.14223	224.2
[M+Na]+	569.12417	230.1
[M-H]-	545.12767	228.9
[M+NH4]+	564.16877	223.8
[M+K]+	585.09811	222.7
[M+H-H2O]+	529.13221	210.5
[M+HCOO]-	591.13315	226.4
[M+CH3COO]-	605.14880	252.2
[M+Na-2H]-	567.10962	219.9
[M]+	546.13440	224.3
[M]-	546.13550	224.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

547.14223

224.2

[M+Na]+

569.12417

230.1

[M-H]-

545.12767

228.9

[M+NH4]+

564.16877

223.8

[M+K]+

585.09811

222.7

[M+H-H2O]+

529.13221

210.5

[M+HCOO]-

591.13315

226.4

[M+CH3COO]-

605.14880

252.2

[M+Na-2H]-

567.10962

219.9

[M]+

546.13440

224.3

[M]-

546.13550

224.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1365267-27-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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