CID 80929

Naphth[2,3-c]acridine-5,8,14(13h)-trione, 10-(9-oxo-9h-naphth[3,2,1-kl]acridin-2-yl)-

Structural Information

Molecular Formula
C41H20N2O4
SMILES
C1=CC=C2C(=C1)C3=C4C=C(C=CC4=NC5=CC=CC(=C53)C2=O)C6=CC7=C(C=C6)NC8=C(C7=O)C=CC9=C8C(=O)C1=CC=CC=C1C9=O
InChI
InChI=1S/C41H20N2O4/c44-38-23-7-2-1-6-22(23)34-29-18-20(12-16-31(29)42-33-11-5-10-26(38)35(33)34)21-13-17-32-30(19-21)40(46)28-15-14-27-36(37(28)43-32)41(47)25-9-4-3-8-24(25)39(27)45/h1-19H,(H,43,46)
InChIKey
USAKOFCBHMNYNR-UHFFFAOYSA-N
Compound name
10-(14-oxo-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1,3,5,7,9,11,13(21),15,17,19-decaen-4-yl)-13H-naphtho[2,3-c]acridine-5,8,14-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

604.14233 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.14961 242.2
[M+Na]+ 627.13155 250.3
[M-H]- 603.13505 249.6
[M+NH4]+ 622.17615 245.6
[M+K]+ 643.10549 240.9
[M+H-H2O]+ 587.13959 221.0
[M+HCOO]- 649.14053 246.6
[M+CH3COO]- 663.15618 245.0
[M+Na-2H]- 625.11700 247.1
[M]+ 604.14178 242.8
[M]- 604.14288 242.8
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.