CID 11603456

2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanyl-n-(2-chlorophenyl)acetamide

Structural Information

Molecular Formula
C17H14ClN5O2S
SMILES
CC(=O)C1=CC(=CC=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3Cl
InChI
InChI=1S/C17H14ClN5O2S/c1-11(24)12-5-4-6-13(9-12)23-17(20-21-22-23)26-10-16(25)19-15-8-3-2-7-14(15)18/h2-9H,10H2,1H3,(H,19,25)
InChIKey
VUTCNOFYVOUBCX-UHFFFAOYSA-N
Compound name
2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.05566 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.06294 186.1
[M+Na]+ 410.04488 195.4
[M-H]- 386.04838 191.7
[M+NH4]+ 405.08948 195.0
[M+K]+ 426.01882 188.4
[M+H-H2O]+ 370.05292 176.2
[M+HCOO]- 432.05386 196.6
[M+CH3COO]- 446.06951 195.5
[M+Na-2H]- 408.03033 185.8
[M]+ 387.05511 191.4
[M]- 387.05621 191.4
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.