CID 80023

Einecs 227-655-7

Structural Information

Molecular Formula
C27H17NO3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C27H17NO3/c29-25-20-9-4-5-10-21(20)26(30)24-22(25)11-6-12-23(24)28-27(31)19-15-13-18(14-16-19)17-7-2-1-3-8-17/h1-16H,(H,28,31)
InChIKey
ZRUUGRHGQSECFJ-UHFFFAOYSA-N
Compound name
N-(9,10-dioxoanthracen-1-yl)-4-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

403.12085 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.12813 196.4
[M+Na]+ 426.11007 203.6
[M-H]- 402.11357 207.4
[M+NH4]+ 421.15467 207.6
[M+K]+ 442.08401 196.5
[M+H-H2O]+ 386.11811 185.0
[M+HCOO]- 448.11905 215.9
[M+CH3COO]- 462.13470 205.7
[M+Na-2H]- 424.09552 200.5
[M]+ 403.12030 195.3
[M]- 403.12140 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

patents stripe