CID 16078118

Benzamide, 3-chloro-4-[[[[1-[2-chloro-4-(1,1-dimethylethyl)phenyl]-1h-tetrazol-5-yl]thio]acetyl]amino]-n-[1-(phenylmethyl)-4-piperidinyl]-

Structural Information

Molecular Formula
C32H35Cl2N7O2S
SMILES
CC(C)(C)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5)Cl)Cl
InChI
InChI=1S/C32H35Cl2N7O2S/c1-32(2,3)23-10-12-28(26(34)18-23)41-31(37-38-39-41)44-20-29(42)36-27-11-9-22(17-25(27)33)30(43)35-24-13-15-40(16-14-24)19-21-7-5-4-6-8-21/h4-12,17-18,24H,13-16,19-20H2,1-3H3,(H,35,43)(H,36,42)
InChIKey
DCNAWMLJWULWDC-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-4-[[2-[1-(4-tert-butyl-2-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

651.195 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 652.20228 248.0
[M+Na]+ 674.18422 251.6
[M-H]- 650.18772 256.0
[M+NH4]+ 669.22882 244.6
[M+K]+ 690.15816 242.8
[M+H-H2O]+ 634.19226 234.8
[M+HCOO]- 696.19320 245.2
[M+CH3COO]- 710.20885 250.2
[M+Na-2H]- 672.16967 243.5
[M]+ 651.19445 251.0
[M]- 651.19555 251.0
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.