CID 183134

133240-46-7

Structural Information

Molecular Formula
C24H23N7
SMILES
CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)N=C(C=C2C)C
InChI
InChI=1S/C24H23N7/c1-4-21-26-22-15(2)13-16(3)25-24(22)31(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)23-27-29-30-28-23/h5-13H,4,14H2,1-3H3,(H,27,28,29,30)
InChIKey
YFWXFHNZGKNDBC-UHFFFAOYSA-N
Compound name
2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

140
References

249
Patents

409.2015 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.20878 201.0
[M+Na]+ 432.19072 219.4
[M+NH4]+ 427.23532 206.7
[M+K]+ 448.16466 214.3
[M-H]- 408.19422 206.2
[M+Na-2H]- 430.17617 211.1
[M]+ 409.20095 205.3
[M]- 409.20205 205.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe