CID 123856

Unii-608gm1whmg

Structural Information

Molecular Formula
C23H21N7
SMILES
CCC1=NC2=C(N1C3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)N=C(C=C2C)C
InChI
InChI=1S/C23H21N7/c1-4-20-25-21-14(2)13-15(3)24-23(21)30(20)17-11-9-16(10-12-17)18-7-5-6-8-19(18)22-26-28-29-27-22/h5-13H,4H2,1-3H3,(H,26,27,28,29)
InChIKey
ZXLFZNWBWMYLDB-UHFFFAOYSA-N
Compound name
2-ethyl-5,7-dimethyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]imidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

123
References

1
Patents

395.18585 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19313 199.5
[M+Na]+ 418.17507 211.5
[M-H]- 394.17857 205.1
[M+NH4]+ 413.21967 205.0
[M+K]+ 434.14901 201.0
[M+H-H2O]+ 378.18311 186.4
[M+HCOO]- 440.18405 214.4
[M+CH3COO]- 454.19970 207.8
[M+Na-2H]- 416.16052 199.1
[M]+ 395.18530 201.9
[M]- 395.18640 201.9
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