CID 11821058

Carbamic acid, [2,3-dihydro-7-[(2e)-2-(phenylmethylene)hydrazino]-1h-imidazo[4,5-b]pyridin-5-yl]-, ethyl ester

Structural Information

Molecular Formula
C16H18N6O2
SMILES
CCOC(=O)NC1=NC2=C(C(=C1)N/N=C/C3=CC=CC=C3)NCN2
InChI
InChI=1S/C16H18N6O2/c1-2-24-16(23)21-13-8-12(14-15(20-13)18-10-17-14)22-19-9-11-6-4-3-5-7-11/h3-9,17H,2,10H2,1H3,(H3,18,20,21,22,23)/b19-9+
InChIKey
NLIOTDZZJAFRQX-DJKKODMXSA-N
Compound name
ethyl N-[7-[(2E)-2-benzylidenehydrazinyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1491 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15638 171.5
[M+Na]+ 349.13832 176.5
[M-H]- 325.14182 173.9
[M+NH4]+ 344.18292 182.4
[M+K]+ 365.11226 171.2
[M+H-H2O]+ 309.14636 161.3
[M+HCOO]- 371.14730 192.0
[M+CH3COO]- 385.16295 210.8
[M+Na-2H]- 347.12377 177.6
[M]+ 326.14855 168.7
[M]- 326.14965 168.7
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.