CID 9662697

2-methyl-n-(2-(2-(2-nitrobenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C17H16N4O4
SMILES
CC1=CC=CC=C1C(=O)NCC(=O)N/N=C/C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C17H16N4O4/c1-12-6-2-4-8-14(12)17(23)18-11-16(22)20-19-10-13-7-3-5-9-15(13)21(24)25/h2-10H,11H2,1H3,(H,18,23)(H,20,22)/b19-10+
InChIKey
PBUOCOJUHSLMOM-VXLYETTFSA-N
Compound name
2-methyl-N-[2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.11716 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12444 176.3
[M+Na]+ 363.10638 179.4
[M-H]- 339.10988 183.8
[M+NH4]+ 358.15098 187.8
[M+K]+ 379.08032 172.7
[M+H-H2O]+ 323.11442 171.1
[M+HCOO]- 385.11536 203.9
[M+CH3COO]- 399.13101 213.0
[M+Na-2H]- 361.09183 182.0
[M]+ 340.11661 174.6
[M]- 340.11771 174.6
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.