CID 11820716

Schembl13328022

Structural Information

Molecular Formula
C17H18N6O3
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)N(C=N2)/N=C/C3=CC=C(C=C3)OC)N
InChI
InChI=1S/C17H18N6O3/c1-3-26-17(24)22-14-8-13-15(16(18)21-14)19-10-23(13)20-9-11-4-6-12(25-2)7-5-11/h4-10H,3H2,1-2H3,(H3,18,21,22,24)/b20-9+
InChIKey
JVSWOQFTZIISPS-AWQFTUOYSA-N
Compound name
ethyl N-[4-amino-1-[(E)-(4-methoxyphenyl)methylideneamino]imidazo[4,5-c]pyridin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

354.14404 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15132 181.0
[M+Na]+ 377.13326 189.9
[M-H]- 353.13676 186.9
[M+NH4]+ 372.17786 192.4
[M+K]+ 393.10720 185.8
[M+H-H2O]+ 337.14130 170.3
[M+HCOO]- 399.14224 206.3
[M+CH3COO]- 413.15789 221.8
[M+Na-2H]- 375.11871 186.5
[M]+ 354.14349 185.9
[M]- 354.14459 185.9
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