CID 45055052

N-(2-(2-benzylidenehydrazino)-2-oxoethyl)-2-methylbenzamide

Structural Information

Molecular Formula
C17H17N3O2
SMILES
CC1=CC=CC=C1C(=O)NCC(=O)N/N=C/C2=CC=CC=C2
InChI
InChI=1S/C17H17N3O2/c1-13-7-5-6-10-15(13)17(22)18-12-16(21)20-19-11-14-8-3-2-4-9-14/h2-11H,12H2,1H3,(H,18,22)(H,20,21)/b19-11+
InChIKey
KNAMZCHGUNDBMH-YBFXNURJSA-N
Compound name
N-[2-[(2E)-2-benzylidenehydrazinyl]-2-oxoethyl]-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13208 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13936 169.1
[M+Na]+ 318.12130 173.4
[M-H]- 294.12480 176.7
[M+NH4]+ 313.16590 183.5
[M+K]+ 334.09524 170.1
[M+H-H2O]+ 278.12934 159.9
[M+HCOO]- 340.13028 196.0
[M+CH3COO]- 354.14593 211.1
[M+Na-2H]- 316.10675 174.0
[M]+ 295.13153 168.5
[M]- 295.13263 168.5
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.