CID 3694250

Nsc645158

Structural Information

Molecular Formula
C38H24N6O4
SMILES
C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NC4=CC=CC=C4C5=CC=CC=C5NC6=C7C=CC(=CC7=NC8=CC=CC=C86)[N+](=O)[O-]
InChI
InChI=1S/C38H24N6O4/c45-43(46)23-17-19-29-35(21-23)39-33-15-7-3-11-27(33)37(29)41-31-13-5-1-9-25(31)26-10-2-6-14-32(26)42-38-28-12-4-8-16-34(28)40-36-22-24(44(47)48)18-20-30(36)38/h1-22H,(H,39,41)(H,40,42)
InChIKey
ISSSEOSGVUQSEM-UHFFFAOYSA-N
Compound name
3-nitro-N-[2-[2-[(3-nitroacridin-9-yl)amino]phenyl]phenyl]acridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

628.1859 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.19318 235.0
[M+Na]+ 651.17512 234.6
[M-H]- 627.17862 245.5
[M+NH4]+ 646.21972 231.5
[M+K]+ 667.14906 219.7
[M+H-H2O]+ 611.18316 223.9
[M+HCOO]- 673.18410 250.5
[M+CH3COO]- 687.19975 260.8
[M+Na-2H]- 649.16057 248.4
[M]+ 628.18535 231.4
[M]- 628.18645 231.4
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.