CID 9626828

N-(2-(2-(9-anthrylmethylene)hydrazino)-2-oxoethyl)-2-methylbenzamide

Structural Information

Molecular Formula
C25H21N3O2
SMILES
CC1=CC=CC=C1C(=O)NCC(=O)N/N=C/C2=C3C=CC=CC3=CC4=CC=CC=C42
InChI
InChI=1S/C25H21N3O2/c1-17-8-2-5-11-20(17)25(30)26-16-24(29)28-27-15-23-21-12-6-3-9-18(21)14-19-10-4-7-13-22(19)23/h2-15H,16H2,1H3,(H,26,30)(H,28,29)/b27-15+
InChIKey
OANQANDYSXIFHP-JFLMPSFJSA-N
Compound name
N-[2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1634 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.17068 193.7
[M+Na]+ 418.15262 199.6
[M-H]- 394.15612 202.9
[M+NH4]+ 413.19722 205.9
[M+K]+ 434.12656 193.7
[M+H-H2O]+ 378.16066 183.1
[M+HCOO]- 440.16160 218.2
[M+CH3COO]- 454.17725 203.3
[M+Na-2H]- 416.13807 200.7
[M]+ 395.16285 195.3
[M]- 395.16395 195.3
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.