CID 2063561

329080-24-2

Structural Information

Molecular Formula
C13H17N5OS
SMILES
CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C
InChI
InChI=1S/C13H17N5OS/c1-9(2)10-4-6-11(7-5-10)14-12(19)8-20-13-15-16-17-18(13)3/h4-7,9H,8H2,1-3H3,(H,14,19)
InChIKey
PCQMOOOVSUOWEX-UHFFFAOYSA-N
Compound name
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1154 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12268 166.7
[M+Na]+ 314.10462 175.1
[M-H]- 290.10812 169.0
[M+NH4]+ 309.14922 179.2
[M+K]+ 330.07856 170.9
[M+H-H2O]+ 274.11266 157.5
[M+HCOO]- 336.11360 181.4
[M+CH3COO]- 350.12925 203.0
[M+Na-2H]- 312.09007 166.6
[M]+ 291.11485 170.1
[M]- 291.11595 170.1
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.