CID 11716221

2-[3-methyl-5-oxo-4-(p-tolylmethylamino)-1,2,4-triazol-1-yl]acetohydrazide

Structural Information

Molecular Formula
C13H18N6O2
SMILES
CC1=CC=C(C=C1)CNN2C(=NN(C2=O)CC(=O)NN)C
InChI
InChI=1S/C13H18N6O2/c1-9-3-5-11(6-4-9)7-15-19-10(2)17-18(13(19)21)8-12(20)16-14/h3-6,15H,7-8,14H2,1-2H3,(H,16,20)
InChIKey
UPPNPZCBNFBONA-UHFFFAOYSA-N
Compound name
2-[3-methyl-4-[(4-methylphenyl)methylamino]-5-oxo-1,2,4-triazol-1-yl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1491 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.15638 166.6
[M+Na]+ 313.13832 174.6
[M-H]- 289.14182 170.2
[M+NH4]+ 308.18292 179.1
[M+K]+ 329.11226 170.7
[M+H-H2O]+ 273.14636 156.8
[M+HCOO]- 335.14730 190.4
[M+CH3COO]- 349.16295 209.4
[M+Na-2H]- 311.12377 169.3
[M]+ 290.14855 166.8
[M]- 290.14965 166.8
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.