CID 60846

Valsartan

Structural Information

Molecular Formula
C24H29N5O3
SMILES
CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O
InChI
InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
InChIKey
ACWBQPMHZXGDFX-QFIPXVFZSA-N
Compound name
(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

5031
References

60124
Patents

435.22705 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.23433 204.9
[M+Na]+ 458.21627 207.2
[M-H]- 434.21977 208.0
[M+NH4]+ 453.26087 208.6
[M+K]+ 474.19021 202.7
[M+H-H2O]+ 418.22431 193.1
[M+HCOO]- 480.22525 218.3
[M+CH3COO]- 494.24090 231.3
[M+Na-2H]- 456.20172 201.6
[M]+ 435.22650 205.7
[M]- 435.22760 205.7
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.