CID 5275186

3-chloro-4-[[2-[1-(2-chloro-4-methyl-phenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide

Structural Information

Molecular Formula
C17H14Cl2N6O2S
SMILES
CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C(=O)N)Cl)Cl
InChI
InChI=1S/C17H14Cl2N6O2S/c1-9-2-5-14(12(19)6-9)25-17(22-23-24-25)28-8-15(26)21-13-4-3-10(16(20)27)7-11(13)18/h2-7H,8H2,1H3,(H2,20,27)(H,21,26)
InChIKey
OWRVLOSMWSSHAX-UHFFFAOYSA-N
Compound name
3-chloro-4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.0276 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.03488 195.2
[M+Na]+ 459.01682 205.1
[M-H]- 435.02032 200.3
[M+NH4]+ 454.06142 202.6
[M+K]+ 474.99076 197.4
[M+H-H2O]+ 419.02486 186.1
[M+HCOO]- 481.02580 201.0
[M+CH3COO]- 495.04145 203.6
[M+Na-2H]- 457.00227 192.9
[M]+ 436.02705 200.8
[M]- 436.02815 200.8
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.