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 154.5
[M+Na]+ 266.10123 167.5
[M+NH4]+ 261.14583 160.9
[M+K]+ 282.07517 161.5
[M-H]- 242.10473 157.7
[M+Na-2H]- 264.08668 163.3
[M]+ 243.11146 157.0
[M]- 243.11256 157.0
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.