CID 16078146

Benzamide, 3-chloro-4-[[[[1-(2-chloro-4-cyclopropylphenyl)-1h-tetrazol-5-yl]thio]acetyl]amino]-n-(phenylsulfonyl)-

Structural Information

Molecular Formula
C25H20Cl2N6O4S2
SMILES
C1CC1C2=CC(=C(C=C2)N3C(=NN=N3)SCC(=O)NC4=C(C=C(C=C4)C(=O)NS(=O)(=O)C5=CC=CC=C5)Cl)Cl
InChI
InChI=1S/C25H20Cl2N6O4S2/c26-19-13-17(24(35)30-39(36,37)18-4-2-1-3-5-18)8-10-21(19)28-23(34)14-38-25-29-31-32-33(25)22-11-9-16(12-20(22)27)15-6-7-15/h1-5,8-13,15H,6-7,14H2,(H,28,34)(H,30,35)
InChIKey
VPZNVOUZWJPNGW-UHFFFAOYSA-N
Compound name
N-(benzenesulfonyl)-3-chloro-4-[[2-[1-(2-chloro-4-cyclopropylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

602.03644 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.04372 218.8
[M+Na]+ 625.02566 226.7
[M-H]- 601.02916 228.6
[M+NH4]+ 620.07026 215.3
[M+K]+ 640.99960 217.7
[M+H-H2O]+ 585.03370 211.2
[M+HCOO]- 647.03464 220.2
[M+CH3COO]- 661.05029 224.0
[M+Na-2H]- 623.01111 219.0
[M]+ 602.03589 227.4
[M]- 602.03699 227.4
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.