CID 456807

Phconacn2 me2co

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CC(=NNC(=O)CNC(=O)C1=CC=CC=C1)C
InChI
InChI=1S/C12H15N3O2/c1-9(2)14-15-11(16)8-13-12(17)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,13,17)(H,15,16)
InChIKey
MXQOWGFHAYTVJY-UHFFFAOYSA-N
Compound name
N-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.11642 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.123696 154.0
[M+Na]+ 256.105638 158.0
[M-H]- 232.109144 158.5
[M+NH4]+ 251.150243 171.1
[M+K]+ 272.079578 157.0
[M+H-H2O]+ 216.113680 146.2
[M+HCOO]- 278.114621 180.1
[M+CH3COO]- 292.130271 199.9
[M+Na-2H]- 254.091086 158.1
[M]+ 233.11587142 153.1
[M]- 233.11696858 153.1
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.