CID 16077778

[1,1'-biphenyl]-3-acetic acid, 3'-chloro-4'-[[[[1-(2-chloro-4-methylphenyl)-1h-tetrazol-5-yl]thio]acetyl]amino]-

Structural Information

Molecular Formula
C24H19Cl2N5O3S
SMILES
CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C4=CC=CC(=C4)CC(=O)O)Cl)Cl
InChI
InChI=1S/C24H19Cl2N5O3S/c1-14-5-8-21(19(26)9-14)31-24(28-29-30-31)35-13-22(32)27-20-7-6-17(12-18(20)25)16-4-2-3-15(10-16)11-23(33)34/h2-10,12H,11,13H2,1H3,(H,27,32)(H,33,34)
InChIKey
QZIDDRPHUNCIHB-UHFFFAOYSA-N
Compound name
2-[3-[3-chloro-4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.0586 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.06588 216.5
[M+Na]+ 550.04782 225.5
[M-H]- 526.05132 223.5
[M+NH4]+ 545.09242 219.7
[M+K]+ 566.02176 216.7
[M+H-H2O]+ 510.05586 206.1
[M+HCOO]- 572.05680 219.7
[M+CH3COO]- 586.07245 223.1
[M+Na-2H]- 548.03327 213.0
[M]+ 527.05805 223.8
[M]- 527.05915 223.8
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.