CID 9635265

N-(2-(2-(9-anthrylmethylene)hydrazino)-2-oxoethyl)-4-methoxybenzamide

Structural Information

Molecular Formula
C25H21N3O3
SMILES
COC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C3C=CC=CC3=CC4=CC=CC=C42
InChI
InChI=1S/C25H21N3O3/c1-31-20-12-10-17(11-13-20)25(30)26-16-24(29)28-27-15-23-21-8-4-2-6-18(21)14-19-7-3-5-9-22(19)23/h2-15H,16H2,1H3,(H,26,30)(H,28,29)/b27-15+
InChIKey
JMGJCKISVASAFE-JFLMPSFJSA-N
Compound name
N-[2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.1583 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.16558 196.4
[M+Na]+ 434.14752 202.0
[M-H]- 410.15102 205.5
[M+NH4]+ 429.19212 207.8
[M+K]+ 450.12146 196.9
[M+H-H2O]+ 394.15556 185.4
[M+HCOO]- 456.15650 221.0
[M+CH3COO]- 470.17215 234.9
[M+Na-2H]- 432.13297 203.5
[M]+ 411.15775 199.3
[M]- 411.15885 199.3
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.