CID 381745

Nsc668605

Structural Information

Molecular Formula
C37H26N2O4
SMILES
C1=CC=C2C(=C1)C3=C(N2CCCCCN4C5=CC=CC=C5C6=C4C7=C(C=C6)C(=O)C=CC7=O)C8=C(C=C3)C(=O)C=CC8=O
InChI
InChI=1S/C37H26N2O4/c40-30-16-18-32(42)34-26(30)14-12-24-22-8-2-4-10-28(22)38(36(24)34)20-6-1-7-21-39-29-11-5-3-9-23(29)25-13-15-27-31(41)17-19-33(43)35(27)37(25)39/h2-5,8-19H,1,6-7,20-21H2
InChIKey
AEIOLBCDIXOOIA-UHFFFAOYSA-N
Compound name
11-[5-(1,4-dioxobenzo[a]carbazol-11-yl)pentyl]benzo[a]carbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.1893 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.19658 240.7
[M+Na]+ 585.17852 251.3
[M-H]- 561.18202 251.0
[M+NH4]+ 580.22312 250.3
[M+K]+ 601.15246 241.4
[M+H-H2O]+ 545.18656 227.5
[M+HCOO]- 607.18750 254.1
[M+CH3COO]- 621.20315 247.3
[M+Na-2H]- 583.16397 238.9
[M]+ 562.18875 247.7
[M]- 562.18985 247.7
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.