CID 3053955

70551-78-9

Structural Information

Molecular Formula
C12H13N5O
SMILES
CC1=CC=C(C=C1)C2=CN=NC(=N2)NNC(=O)C
InChI
InChI=1S/C12H13N5O/c1-8-3-5-10(6-4-8)11-7-13-16-12(14-11)17-15-9(2)18/h3-7H,1-2H3,(H,15,18)(H,14,16,17)
InChIKey
YSJJYNFITPKKHQ-UHFFFAOYSA-N
Compound name
N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.11201 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11929 155.2
[M+Na]+ 266.10123 163.0
[M-H]- 242.10473 158.4
[M+NH4]+ 261.14583 167.9
[M+K]+ 282.07517 159.0
[M+H-H2O]+ 226.10927 145.3
[M+HCOO]- 288.11021 177.8
[M+CH3COO]- 302.12586 197.8
[M+Na-2H]- 264.08668 163.0
[M]+ 243.11146 154.5
[M]- 243.11256 154.5
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.