CID 11594653

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

Structural Information

Molecular Formula
C14H20N6O2
SMILES
CCC1=NN(C(=O)N1NCC2=CC=C(C=C2)C)CC(=O)NN
InChI
InChI=1S/C14H20N6O2/c1-3-12-18-19(9-13(21)17-15)14(22)20(12)16-8-11-6-4-10(2)5-7-11/h4-7,16H,3,8-9,15H2,1-2H3,(H,17,21)
InChIKey
CLSNGLKFDWYWOQ-UHFFFAOYSA-N
Compound name
2-[3-ethyl-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

304.16476 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17204 170.9
[M+Na]+ 327.15398 178.5
[M-H]- 303.15748 174.3
[M+NH4]+ 322.19858 182.8
[M+K]+ 343.12792 174.4
[M+H-H2O]+ 287.16202 160.9
[M+HCOO]- 349.16296 194.3
[M+CH3COO]- 363.17861 212.4
[M+Na-2H]- 325.13943 173.1
[M]+ 304.16421 171.5
[M]- 304.16531 171.5
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.