CID 135454396

65894-19-1

Structural Information

Molecular Formula
C12H11ClN4O
SMILES
CC1=CC(=O)NC(=N1)N/N=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H11ClN4O/c1-8-6-11(18)16-12(15-8)17-14-7-9-2-4-10(13)5-3-9/h2-7H,1H3,(H2,15,16,17,18)/b14-7+
InChIKey
VHROUCLVTSMYCM-VGOFMYFVSA-N
Compound name
2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.06213 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.06941 156.8
[M+Na]+ 285.05135 166.7
[M-H]- 261.05485 161.3
[M+NH4]+ 280.09595 171.3
[M+K]+ 301.02529 160.3
[M+H-H2O]+ 245.05939 148.3
[M+HCOO]- 307.06033 177.2
[M+CH3COO]- 321.07598 198.3
[M+Na-2H]- 283.03680 164.1
[M]+ 262.06158 158.0
[M]- 262.06268 158.0
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.