CID 1968568

618427-42-2

Structural Information

Molecular Formula
C18H20N6OS
SMILES
CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC)C3=NC=CN=C3
InChI
InChI=1S/C18H20N6OS/c1-3-13-7-5-6-8-14(13)21-16(25)12-26-18-23-22-17(24(18)4-2)15-11-19-9-10-20-15/h5-11H,3-4,12H2,1-2H3,(H,21,25)
InChIKey
CBRPAJMMITWNAM-UHFFFAOYSA-N
Compound name
N-(2-ethylphenyl)-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

368.14194 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.149216 186.4
[M+Na]+ 391.131158 195.3
[M-H]- 367.134664 190.5
[M+NH4]+ 386.175763 194.2
[M+K]+ 407.105098 188.1
[M+H-H2O]+ 351.139200 175.4
[M+HCOO]- 413.140141 200.6
[M+CH3COO]- 427.155791 195.3
[M+Na-2H]- 389.116606 186.8
[M]+ 368.14139142 190.3
[M]- 368.14248858 190.3
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.