CID 72731

2987-68-0

Structural Information

Molecular Formula
C28H18N2O4
SMILES
C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O
InChI
InChI=1S/C28H18N2O4/c31-25-19-13-7-8-14-20(19)26(32)24-22(30-28(34)18-11-5-2-6-12-18)16-15-21(23(24)25)29-27(33)17-9-3-1-4-10-17/h1-16H,(H,29,33)(H,30,34)
InChIKey
SMYVNUCSIRQQNT-UHFFFAOYSA-N
Compound name
N-(4-benzamido-9,10-dioxoanthracen-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

446.12665 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.13393 204.5
[M+Na]+ 469.11587 209.9
[M-H]- 445.11937 215.2
[M+NH4]+ 464.16047 213.3
[M+K]+ 485.08981 204.0
[M+H-H2O]+ 429.12391 192.8
[M+HCOO]- 491.12485 224.0
[M+CH3COO]- 505.14050 212.6
[M+Na-2H]- 467.10132 208.2
[M]+ 446.12610 203.3
[M]- 446.12720 203.3
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