CID 3053956

Brn 0670460

Structural Information

Molecular Formula
C12H13N5O2
SMILES
CC(=O)NNC1=NC(=CN=N1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C12H13N5O2/c1-8(18)15-17-12-14-11(7-13-16-12)9-3-5-10(19-2)6-4-9/h3-7H,1-2H3,(H,15,18)(H,14,16,17)
InChIKey
MDJBECCUQSTINT-UHFFFAOYSA-N
Compound name
N'-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.10693 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.11421 157.8
[M+Na]+ 282.09615 165.4
[M-H]- 258.09965 161.0
[M+NH4]+ 277.14075 169.7
[M+K]+ 298.07009 162.0
[M+H-H2O]+ 242.10419 147.6
[M+HCOO]- 304.10513 180.5
[M+CH3COO]- 318.12078 200.0
[M+Na-2H]- 280.08160 165.6
[M]+ 259.10638 158.5
[M]- 259.10748 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.