PubChemLite - Imp-1088 (C25H29F2N5O)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=NN1C)C)CCOC2=C(C=CC(=C2F)F)C3=CC4=C(C=C3)N(N=C4CN(C)C)C

InChI

InChI=1S/C25H29F2N5O/c1-15-18(16(2)31(5)28-15)11-12-33-25-19(8-9-21(26)24(25)27)17-7-10-23-20(13-17)22(14-30(3)4)29-32(23)6/h7-10,13H,11-12,14H2,1-6H3

InChIKey

SOXNKJCQBRQUMS-UHFFFAOYSA-N

Compound name

1-[5-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methylindazol-3-yl]-N,N-dimethylmethanamine

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]+	454.24128	214.7
[M+Na]+	476.22322	228.1
[M+NH4]+	471.26782	219.2
[M+K]+	492.19716	223.9
[M-H]-	452.22672	216.9
[M+Na-2H]-	474.20867	219.3
[M]+	453.23345	217.2
[M]-	453.23455	217.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

454.24128

214.7

[M+Na]+

476.22322

228.1

[M+NH4]+

471.26782

219.2

[M+K]+

492.19716

223.9

[M-H]-

452.22672

216.9

[M+Na-2H]-

474.20867

219.3

[M]+

453.23345

217.2

[M]-

453.23455

217.2

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

Imp-1088

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe