CID 1278153

2-(1-phenyltetrazol-5-yl)sulfanyl-n-[3-(trifluoromethyl)phenyl]acetamide

Structural Information

Molecular Formula
C16H12F3N5OS
SMILES
C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C16H12F3N5OS/c17-16(18,19)11-5-4-6-12(9-11)20-14(25)10-26-15-21-22-23-24(15)13-7-2-1-3-8-13/h1-9H,10H2,(H,20,25)
InChIKey
RFHYYAFWLORTBR-UHFFFAOYSA-N
Compound name
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.07147 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.07875 181.7
[M+Na]+ 402.06069 190.9
[M-H]- 378.06419 183.2
[M+NH4]+ 397.10529 190.0
[M+K]+ 418.03463 183.7
[M+H-H2O]+ 362.06873 169.0
[M+HCOO]- 424.06967 193.2
[M+CH3COO]- 438.08532 190.2
[M+Na-2H]- 400.04614 183.1
[M]+ 379.07092 180.6
[M]- 379.07202 180.6
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.