CID 8325

Benzamide, n-(5-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-

Structural Information

Molecular Formula
C21H12ClNO3
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)Cl
InChI
InChI=1S/C21H12ClNO3/c22-15-10-4-8-13-17(15)19(24)14-9-5-11-16(18(14)20(13)25)23-21(26)12-6-2-1-3-7-12/h1-11H,(H,23,26)
InChIKey
VDCUNNJIPITONP-UHFFFAOYSA-N
Compound name
N-(5-chloro-9,10-dioxoanthracen-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

361.05057 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.05785 180.8
[M+Na]+ 384.03979 190.6
[M-H]- 360.04329 189.4
[M+NH4]+ 379.08439 195.8
[M+K]+ 400.01373 183.6
[M+H-H2O]+ 344.04783 172.6
[M+HCOO]- 406.04877 197.2
[M+CH3COO]- 420.06442 191.9
[M+Na-2H]- 382.02524 185.6
[M]+ 361.05002 183.4
[M]- 361.05112 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe