CID 3364731

Schembl13327589

Structural Information

Molecular Formula
C16H17N5O2
SMILES
CCOC(=O)NC1=NC2=C(C(=C1)NCC3=CC=CC=C3)NC=N2
InChI
InChI=1S/C16H17N5O2/c1-2-23-16(22)21-13-8-12(14-15(20-13)19-10-18-14)17-9-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H3,17,18,19,20,21,22)
InChIKey
YDBKQIPJDRSPMG-UHFFFAOYSA-N
Compound name
ethyl N-[7-(benzylamino)-1H-imidazo[4,5-b]pyridin-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

311.1382 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14548 169.2
[M+Na]+ 334.12742 176.7
[M-H]- 310.13092 172.3
[M+NH4]+ 329.17202 181.2
[M+K]+ 350.10136 171.4
[M+H-H2O]+ 294.13546 159.2
[M+HCOO]- 356.13640 191.2
[M+CH3COO]- 370.15205 179.4
[M+Na-2H]- 332.11287 176.2
[M]+ 311.13765 170.5
[M]- 311.13875 170.5
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

patents stripe