CID 9639527

N-(2-(2-(9-anthrylmethylene)hydrazino)-2-oxoethyl)-3-bromobenzamide

Structural Information

Molecular Formula
C24H18BrN3O2
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=N/NC(=O)CNC(=O)C4=CC(=CC=C4)Br
InChI
InChI=1S/C24H18BrN3O2/c25-19-9-5-8-18(13-19)24(30)26-15-23(29)28-27-14-22-20-10-3-1-6-16(20)12-17-7-2-4-11-21(17)22/h1-14H,15H2,(H,26,30)(H,28,29)/b27-14+
InChIKey
FOSHBBWRVSHGPM-MZJWZYIUSA-N
Compound name
N-[2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-bromobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.05823 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.06551 200.0
[M+Na]+ 482.04745 207.8
[M-H]- 458.05095 210.8
[M+NH4]+ 477.09205 213.1
[M+K]+ 498.02139 194.9
[M+H-H2O]+ 442.05549 195.2
[M+HCOO]- 504.05643 221.7
[M+CH3COO]- 518.07208 210.5
[M+Na-2H]- 480.03290 207.4
[M]+ 459.05768 219.1
[M]- 459.05878 219.1
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.