CID 176863

Abitesartan

Structural Information

Molecular Formula
C26H31N5O3
SMILES
CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)CC4(CCCC4)C(=O)O
InChI
InChI=1S/C26H31N5O3/c1-2-3-10-23(32)31(18-26(25(33)34)15-6-7-16-26)17-19-11-13-20(14-12-19)21-8-4-5-9-22(21)24-27-29-30-28-24/h4-5,8-9,11-14H,2-3,6-7,10,15-18H2,1H3,(H,33,34)(H,27,28,29,30)
InChIKey
ZUMPSVPHCDJCMD-UHFFFAOYSA-N
Compound name
1-[[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]methyl]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1351
Patents

461.24268 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.249956 208.4
[M+Na]+ 484.231898 210.2
[M-H]- 460.235404 214.5
[M+NH4]+ 479.276503 214.4
[M+K]+ 500.205838 205.2
[M+H-H2O]+ 444.239940 196.3
[M+HCOO]- 506.240881 222.4
[M+CH3COO]- 520.256531 231.5
[M+Na-2H]- 482.217346 204.8
[M]+ 461.24213142 206.8
[M]- 461.24322858 206.8
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

No patent data available for this compound.