CID 45054644

4-methyl-n-(2-(2-(1-naphthylmethylene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C21H19N3O2
SMILES
CC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H19N3O2/c1-15-9-11-17(12-10-15)21(26)22-14-20(25)24-23-13-18-7-4-6-16-5-2-3-8-19(16)18/h2-13H,14H2,1H3,(H,22,26)(H,24,25)/b23-13+
InChIKey
RRJHBHUDJRYWTJ-YDZHTSKRSA-N
Compound name
4-methyl-N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.14774 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15502 181.2
[M+Na]+ 368.13696 185.9
[M-H]- 344.14046 189.5
[M+NH4]+ 363.18156 194.6
[M+K]+ 384.11090 181.3
[M+H-H2O]+ 328.14500 171.5
[M+HCOO]- 390.14594 206.4
[M+CH3COO]- 404.16159 222.1
[M+Na-2H]- 366.12241 186.8
[M]+ 345.14719 181.2
[M]- 345.14829 181.2
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.