CID 5275068

Stl025533

Structural Information

Molecular Formula
C20H17N5OS
SMILES
CC1=CC=CC=C1NC(=O)CSC2=NN=NN2C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H17N5OS/c1-14-7-2-5-11-17(14)21-19(26)13-27-20-22-23-24-25(20)18-12-6-9-15-8-3-4-10-16(15)18/h2-12H,13H2,1H3,(H,21,26)
InChIKey
QXWOSXUGQVWYAC-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1154 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12268 186.9
[M+Na]+ 398.10462 197.2
[M-H]- 374.10812 193.4
[M+NH4]+ 393.14922 196.6
[M+K]+ 414.07856 189.3
[M+H-H2O]+ 358.11266 176.5
[M+HCOO]- 420.11360 202.9
[M+CH3COO]- 434.12925 196.7
[M+Na-2H]- 396.09007 190.5
[M]+ 375.11485 191.3
[M]- 375.11595 191.3
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.