CID 3729984

763114-89-2

Structural Information

Molecular Formula
C19H21N5O2S
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)OC
InChI
InChI=1S/C19H21N5O2S/c1-12-6-4-7-13(2)17(12)21-16(25)11-27-19-23-22-18(24(19)20)14-8-5-9-15(10-14)26-3/h4-10H,11,20H2,1-3H3,(H,21,25)
InChIKey
SEYMVYZYJMVISM-UHFFFAOYSA-N
Compound name
2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1416 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14888 191.2
[M+Na]+ 406.13082 203.5
[M+NH4]+ 401.17542 197.0
[M+K]+ 422.10476 197.2
[M-H]- 382.13432 196.0
[M+Na-2H]- 404.11627 198.4
[M]+ 383.14105 194.6
[M]- 383.14215 194.6
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.