CID 11687716

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

Structural Information

Molecular Formula
C12H16N6O2
SMILES
CC1=NN(C(=O)N1NCC2=CC=CC=C2)CC(=O)NN
InChI
InChI=1S/C12H16N6O2/c1-9-16-17(8-11(19)15-13)12(20)18(9)14-7-10-5-3-2-4-6-10/h2-6,14H,7-8,13H2,1H3,(H,15,19)
InChIKey
QNOVQRCFGQGKHF-UHFFFAOYSA-N
Compound name
2-[4-(benzylamino)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.13348 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14076 161.1
[M+Na]+ 299.12270 168.7
[M-H]- 275.12620 164.5
[M+NH4]+ 294.16730 173.9
[M+K]+ 315.09664 165.0
[M+H-H2O]+ 259.13074 151.2
[M+HCOO]- 321.13168 185.3
[M+CH3COO]- 335.14733 205.1
[M+Na-2H]- 297.10815 165.1
[M]+ 276.13293 160.6
[M]- 276.13403 160.6
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.