CID 5277360

Schembl13327412

Structural Information

Molecular Formula
C20H25N5O2
SMILES
CCN(CC)C1=C2C(=CC(=N1)NC(=O)OCC)NC(=N2)C3=CC=C(C=C3)C
InChI
InChI=1S/C20H25N5O2/c1-5-25(6-2)19-17-15(12-16(22-19)23-20(26)27-7-3)21-18(24-17)14-10-8-13(4)9-11-14/h8-12H,5-7H2,1-4H3,(H,21,24)(H,22,23,26)
InChIKey
KDPMZUKQXVWJNF-UHFFFAOYSA-N
Compound name
ethyl N-[4-(diethylamino)-2-(4-methylphenyl)-1H-imidazo[4,5-c]pyridin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

367.20084 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.20812 190.1
[M+Na]+ 390.19006 197.7
[M-H]- 366.19356 194.7
[M+NH4]+ 385.23466 201.0
[M+K]+ 406.16400 192.9
[M+H-H2O]+ 350.19810 179.7
[M+HCOO]- 412.19904 211.1
[M+CH3COO]- 426.21469 223.6
[M+Na-2H]- 388.17551 192.6
[M]+ 367.20029 194.7
[M]- 367.20139 194.7
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

patents stripe