CID 135613045

N-(2-(2-((2-ho-1-naphthyl)methylene)hydrazino)-2-oxoethyl)-4-methylbenzamide

Structural Information

Molecular Formula
C21H19N3O3
SMILES
CC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C21H19N3O3/c1-14-6-8-16(9-7-14)21(27)22-13-20(26)24-23-12-18-17-5-3-2-4-15(17)10-11-19(18)25/h2-12,25H,13H2,1H3,(H,22,27)(H,24,26)/b23-12+
InChIKey
GYMOLDDDIPDQPW-FSJBWODESA-N
Compound name
N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.14264 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.14992 184.2
[M+Na]+ 384.13186 189.2
[M-H]- 360.13536 191.5
[M+NH4]+ 379.17646 196.4
[M+K]+ 400.10580 184.7
[M+H-H2O]+ 344.13990 174.8
[M+HCOO]- 406.14084 208.1
[M+CH3COO]- 420.15649 223.3
[M+Na-2H]- 382.11731 188.9
[M]+ 361.14209 184.2
[M]- 361.14319 184.2
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.