CID 391440

Nsc690635

Structural Information

Molecular Formula
C31H26N6O4
SMILES
C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCCCCNC4=C5C(=NC6=CC=CC=C64)C=CC=C5[N+](=O)[O-]
InChI
InChI=1S/C31H26N6O4/c38-36(39)26-16-8-14-24-28(26)30(20-10-2-4-12-22(20)34-24)32-18-6-1-7-19-33-31-21-11-3-5-13-23(21)35-25-15-9-17-27(29(25)31)37(40)41/h2-5,8-17H,1,6-7,18-19H2,(H,32,34)(H,33,35)
InChIKey
NNOSNVDRJWZODO-UHFFFAOYSA-N
Compound name
N,N'-bis(1-nitroacridin-9-yl)pentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

546.20154 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.20882 220.0
[M+Na]+ 569.19076 221.0
[M-H]- 545.19426 225.8
[M+NH4]+ 564.23536 221.4
[M+K]+ 585.16470 206.0
[M+H-H2O]+ 529.19880 212.9
[M+HCOO]- 591.19974 237.7
[M+CH3COO]- 605.21539 247.4
[M+Na-2H]- 567.17621 234.2
[M]+ 546.20099 219.5
[M]- 546.20209 219.5
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.