CID 132706

Forasartan

Structural Information

Molecular Formula
C23H28N8
SMILES
CCCCC1=NN(C(=N1)CCCC)CC2=CN=C(C=C2)C3=CC=CC=C3C4=NNN=N4
InChI
InChI=1S/C23H28N8/c1-3-5-11-21-25-22(12-6-4-2)31(28-21)16-17-13-14-20(24-15-17)18-9-7-8-10-19(18)23-26-29-30-27-23/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,26,27,29,30)
InChIKey
YONOBYIBNBCDSJ-UHFFFAOYSA-N
Compound name
5-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

17
References

1862
Patents

416.24368 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.25096 200.9
[M+Na]+ 439.23290 216.5
[M+NH4]+ 434.27750 204.6
[M+K]+ 455.20684 212.3
[M-H]- 415.23640 203.8
[M+Na-2H]- 437.21835 210.3
[M]+ 416.24313 203.9
[M]- 416.24423 203.9
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