CID 11516442

N-(2-chlorophenyl)-2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-acetamide

Structural Information

Molecular Formula
C15H11Cl2N5OS
SMILES
C1=CC=C(C(=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3Cl)Cl
InChI
InChI=1S/C15H11Cl2N5OS/c16-10-5-1-3-7-12(10)18-14(23)9-24-15-19-20-21-22(15)13-8-4-2-6-11(13)17/h1-8H,9H2,(H,18,23)
InChIKey
RRNJBYNIBBILKO-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.00613 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.01341 180.1
[M+Na]+ 401.99535 190.7
[M-H]- 377.99885 184.9
[M+NH4]+ 397.03995 190.1
[M+K]+ 417.96929 182.9
[M+H-H2O]+ 362.00339 170.4
[M+HCOO]- 424.00433 186.7
[M+CH3COO]- 438.01998 189.7
[M+Na-2H]- 399.98080 180.7
[M]+ 379.00558 185.4
[M]- 379.00668 185.4
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.