CID 9801627

Fk-739

Structural Information

Molecular Formula
C24H23N7
SMILES
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)N=CC=C2
InChI
InChI=1S/C24H23N7/c1-2-3-10-22-26-21-9-6-15-25-24(21)31(22)16-17-11-13-18(14-12-17)19-7-4-5-8-20(19)23-27-29-30-28-23/h4-9,11-15H,2-3,10,16H2,1H3,(H,27,28,29,30)
InChIKey
YILJWHUIUCRKEU-UHFFFAOYSA-N
Compound name
2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

42
Patents

409.2015 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.20878 199.6
[M+Na]+ 432.19072 209.4
[M-H]- 408.19422 204.2
[M+NH4]+ 427.23532 204.0
[M+K]+ 448.16466 198.9
[M+H-H2O]+ 392.19876 185.7
[M+HCOO]- 454.19970 214.3
[M+CH3COO]- 468.21535 207.0
[M+Na-2H]- 430.17617 200.6
[M]+ 409.20095 201.4
[M]- 409.20205 201.4
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