CID 5277401

Ethyl n-(4-amino-2-benzylsulfanyl-1-methyl-imidazo[4,5-c]pyridin-6-yl)carbamate

Structural Information

Molecular Formula
C17H19N5O2S
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)N(C(=N2)SCC3=CC=CC=C3)C)N
InChI
InChI=1S/C17H19N5O2S/c1-3-24-17(23)20-13-9-12-14(15(18)19-13)21-16(22(12)2)25-10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3,(H3,18,19,20,23)
InChIKey
IPIWJKAHRXMOLR-UHFFFAOYSA-N
Compound name
ethyl N-(4-amino-2-benzylsulfanyl-1-methylimidazo[4,5-c]pyridin-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.12595 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13323 182.4
[M+Na]+ 380.11517 192.3
[M-H]- 356.11867 187.0
[M+NH4]+ 375.15977 194.5
[M+K]+ 396.08911 186.3
[M+H-H2O]+ 340.12321 173.5
[M+HCOO]- 402.12415 200.0
[M+CH3COO]- 416.13980 192.7
[M+Na-2H]- 378.10062 184.4
[M]+ 357.12540 188.1
[M]- 357.12650 188.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.