PubChemLite - 81820-12-4 (C24H26ClN5O4)

Structural Information

Molecular Formula

SMILES

CC(=O)NC1=CC=C(C=C1)OCC(=O)N=NC2=C(N(C3=C2C=C(C=C3)Cl)CN4CCCCC4)O

InChI

InChI=1S/C24H26ClN5O4/c1-16(31)26-18-6-8-19(9-7-18)34-14-22(32)27-28-23-20-13-17(25)5-10-21(20)30(24(23)33)15-29-11-3-2-4-12-29/h5-10,13,33H,2-4,11-12,14-15H2,1H3,(H,26,31)

InChIKey

BBKQGIBVCHFQGP-UHFFFAOYSA-N

Compound name

2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide

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]+	484.17461	213.1
[M+Na]+	506.15655	218.1
[M-H]-	482.16005	222.1
[M+NH4]+	501.20115	220.8
[M+K]+	522.13049	213.0
[M+H-H2O]+	466.16459	201.9
[M+HCOO]-	528.16553	229.5
[M+CH3COO]-	542.18118	244.5
[M+Na-2H]-	504.14200	213.4
[M]+	483.16678	217.0
[M]-	483.16788	217.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

484.17461

213.1

[M+Na]+

506.15655

218.1

[M-H]-

482.16005

222.1

[M+NH4]+

501.20115

220.8

[M+K]+

522.13049

213.0

[M+H-H2O]+

466.16459

201.9

[M+HCOO]-

528.16553

229.5

[M+CH3COO]-

542.18118

244.5

[M+Na-2H]-

504.14200

213.4

[M]+

483.16678

217.0

[M]-

483.16788

217.0

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

81820-12-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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