CID 1997392

587012-06-4

Structural Information

Molecular Formula
C19H22N6OS
SMILES
CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC)C3=NC=CN=C3)C
InChI
InChI=1S/C19H22N6OS/c1-4-14-8-6-7-13(3)17(14)22-16(26)12-27-19-24-23-18(25(19)5-2)15-11-20-9-10-21-15/h6-11H,4-5,12H2,1-3H3,(H,22,26)
InChIKey
OMAQGVACHUNXCF-UHFFFAOYSA-N
Compound name
N-(2-ethyl-6-methylphenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.1576 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.16488 190.9
[M+Na]+ 405.14682 204.5
[M+NH4]+ 400.19142 196.2
[M+K]+ 421.12076 197.4
[M-H]- 381.15032 194.4
[M+Na-2H]- 403.13227 198.4
[M]+ 382.15705 194.2
[M]- 382.15815 194.2
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.