CID 72746

7h-benzo[e]perimidine-4-carboxamide, n-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-7-oxo-

Structural Information

Molecular Formula
C30H15N3O4
SMILES
C1=CC=C2C(=C1)C3=NC=NC4=C(C=CC(=C43)C2=O)C(=O)NC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O
InChI
InChI=1S/C30H15N3O4/c34-27-16-7-2-1-6-15(16)25-24-20(27)12-13-21(26(24)32-14-31-25)30(37)33-22-11-5-10-19-23(22)29(36)18-9-4-3-8-17(18)28(19)35/h1-14H,(H,33,37)
InChIKey
UCANIZWVDIFCHH-UHFFFAOYSA-N
Compound name
N-(9,10-dioxoanthracen-1-yl)-7-oxobenzo[e]perimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

968
Patents

481.10626 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.11354 212.9
[M+Na]+ 504.09548 220.7
[M-H]- 480.09898 219.6
[M+NH4]+ 499.14008 220.6
[M+K]+ 520.06942 213.1
[M+H-H2O]+ 464.10352 197.8
[M+HCOO]- 526.10446 223.8
[M+CH3COO]- 540.12011 219.2
[M+Na-2H]- 502.08093 219.1
[M]+ 481.10571 213.6
[M]- 481.10681 213.6
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