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]+ 354.13832 182.0
[M+Na]+ 376.12026 189.6
[M-H]- 352.12376 187.1
[M+NH4]+ 371.16486 191.4
[M+K]+ 392.09420 183.4
[M+H-H2O]+ 336.12830 171.5
[M+HCOO]- 398.12924 196.6
[M+CH3COO]- 412.14489 191.3
[M+Na-2H]- 374.10571 182.2
[M]+ 353.13049 184.6
[M]- 353.13159 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.