CID 11536603

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

Structural Information

Molecular Formula
C13H18N6O2
SMILES
CCC1=NN(C(=O)N1NCC2=CC=CC=C2)CC(=O)NN
InChI
InChI=1S/C13H18N6O2/c1-2-11-17-18(9-12(20)16-14)13(21)19(11)15-8-10-6-4-3-5-7-10/h3-7,15H,2,8-9,14H2,1H3,(H,16,20)
InChIKey
OPMZDNYBSPJAFC-UHFFFAOYSA-N
Compound name
2-[4-(benzylamino)-3-ethyl-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

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.15638 165.4
[M+Na]+ 313.13832 172.5
[M-H]- 289.14182 168.6
[M+NH4]+ 308.18292 177.6
[M+K]+ 329.11226 168.6
[M+H-H2O]+ 273.14636 155.3
[M+HCOO]- 335.14730 189.2
[M+CH3COO]- 349.16295 208.1
[M+Na-2H]- 311.12377 168.9
[M]+ 290.14855 165.2
[M]- 290.14965 165.2
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.