CID 160862

6661-46-7

Structural Information

Molecular Formula
C43H21ClN4O5
SMILES
C1=CC=C(C=C1)C2=NC3=CC4=C(C=C3C(=N2)NC5=C6C(=C7C(=C5)C(=O)C8=CC=CC=C8C7=O)NC9=C(C6=O)C=C(C=C9)Cl)C(=O)C1=CC=CC=C1C4=O
InChI
InChI=1S/C43H21ClN4O5/c44-21-14-15-31-28(16-21)41(53)35-33(19-30-34(36(35)45-31)40(52)25-13-7-6-12-24(25)39(30)51)47-43-29-17-26-27(38(50)23-11-5-4-10-22(23)37(26)49)18-32(29)46-42(48-43)20-8-2-1-3-9-20/h1-19H,(H,45,53)(H,46,47,48)
InChIKey
LYXQXACEQGZEBR-UHFFFAOYSA-N
Compound name
10-chloro-7-[(6,11-dioxo-2-phenylnaphtho[2,3-g]quinazolin-4-yl)amino]-13H-naphtho[2,3-c]acridine-5,8,14-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

708.12006 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 709.12734 260.4
[M+Na]+ 731.10928 268.7
[M-H]- 707.11278 268.7
[M+NH4]+ 726.15388 258.3
[M+K]+ 747.08322 260.3
[M+H-H2O]+ 691.11732 239.3
[M+HCOO]- 753.11826 260.6
[M+CH3COO]- 767.13391 261.7
[M+Na-2H]- 729.09473 263.7
[M]+ 708.11951 262.7
[M]- 708.12061 262.7
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.