CID 983034

311315-77-2

Structural Information

Molecular Formula
C18H19N5OS
SMILES
CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3
InChI
InChI=1S/C18H19N5OS/c1-13(2)14-8-10-15(11-9-14)19-17(24)12-25-18-20-21-22-23(18)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,19,24)
InChIKey
PPXXBPIBFJEGTL-UHFFFAOYSA-N
Compound name
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.13104 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.138316 182.0
[M+Na]+ 376.120258 189.6
[M-H]- 352.123764 187.1
[M+NH4]+ 371.164863 191.4
[M+K]+ 392.094198 183.4
[M+H-H2O]+ 336.128300 171.5
[M+HCOO]- 398.129241 196.6
[M+CH3COO]- 412.144891 191.3
[M+Na-2H]- 374.105706 182.2
[M]+ 353.13049142 184.6
[M]- 353.13158858 184.6
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.