CID 3842056

2-((4-amino-5-isopropyl-4h-1,2,4-triazol-3-yl)thio)-n-methyl-n-phenylacetamide

Structural Information

Molecular Formula
C14H19N5OS
SMILES
CC(C)C1=NN=C(N1N)SCC(=O)N(C)C2=CC=CC=C2
InChI
InChI=1S/C14H19N5OS/c1-10(2)13-16-17-14(19(13)15)21-9-12(20)18(3)11-7-5-4-6-8-11/h4-8,10H,9,15H2,1-3H3
InChIKey
JSOAKXLEGYZCKU-UHFFFAOYSA-N
Compound name
2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.13104 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13832 169.7
[M+Na]+ 328.12026 179.3
[M+NH4]+ 323.16486 175.7
[M+K]+ 344.09420 174.8
[M-H]- 304.12376 172.1
[M+Na-2H]- 326.10571 175.1
[M]+ 305.13049 171.8
[M]- 305.13159 171.8
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.