CID 379251

Nsc663665

Structural Information

Molecular Formula
C40H32N2O4
SMILES
C1=CC=C2C(=C1)C3=C(N2CCCCCCCCN4C5=CC=CC=C5C6=C4C7=C(C=C6)C(=O)C=CC7=O)C8=C(C=C3)C(=O)C=CC8=O
InChI
InChI=1S/C40H32N2O4/c43-33-19-21-35(45)37-29(33)17-15-27-25-11-5-7-13-31(25)41(39(27)37)23-9-3-1-2-4-10-24-42-32-14-8-6-12-26(32)28-16-18-30-34(44)20-22-36(46)38(30)40(28)42/h5-8,11-22H,1-4,9-10,23-24H2
InChIKey
VQMDPDYUINQHQO-UHFFFAOYSA-N
Compound name
11-[8-(1,4-dioxobenzo[a]carbazol-11-yl)octyl]benzo[a]carbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

604.2362 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.24348 253.4
[M+Na]+ 627.22542 262.4
[M-H]- 603.22892 262.9
[M+NH4]+ 622.27002 261.2
[M+K]+ 643.19936 252.1
[M+H-H2O]+ 587.23346 239.6
[M+HCOO]- 649.23440 265.6
[M+CH3COO]- 663.25005 258.6
[M+Na-2H]- 625.21087 250.0
[M]+ 604.23565 260.9
[M]- 604.23675 260.9
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.