CID 384127

Nsc673415

Structural Information

Molecular Formula
C33H27N5O5
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCN4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-]
InChI
InChI=1S/C33H27N5O5/c39-31(26-20-29(21-8-2-1-3-9-21)36-28-13-5-4-11-24(26)28)35-15-7-14-34-16-17-37-32(40)25-12-6-10-22-18-23(38(42)43)19-27(30(22)25)33(37)41/h1-6,8-13,18-20,34H,7,14-17H2,(H,35,39)
InChIKey
QEPSPBLUFYZVAY-UHFFFAOYSA-N
Compound name
N-[3-[2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl]-2-phenylquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.20123 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.20851 234.1
[M+Na]+ 596.19045 235.5
[M-H]- 572.19395 241.2
[M+NH4]+ 591.23505 234.5
[M+K]+ 612.16439 224.9
[M+H-H2O]+ 556.19849 222.7
[M+HCOO]- 618.19943 248.9
[M+CH3COO]- 632.21508 258.1
[M+Na-2H]- 594.17590 241.4
[M]+ 573.20068 234.2
[M]- 573.20178 234.2
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.