CID 372655

Nsc648152

Structural Information

Molecular Formula
C27H17NO2
SMILES
CN1C2=CC=CC=C2C3=CC(=C4C(=C31)C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6
InChI
InChI=1S/C27H17NO2/c1-28-22-14-8-7-11-17(22)21-15-20(16-9-3-2-4-10-16)23-24(25(21)28)27(30)19-13-6-5-12-18(19)26(23)29/h2-15H,1H3
InChIKey
BEDFEABQTLGSOK-UHFFFAOYSA-N
Compound name
12-methyl-6-phenylnaphtho[3,2-a]carbazole-5,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.12592 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.13320 195.2
[M+Na]+ 410.11514 207.0
[M-H]- 386.11864 205.1
[M+NH4]+ 405.15974 210.9
[M+K]+ 426.08908 198.1
[M+H-H2O]+ 370.12318 184.4
[M+HCOO]- 432.12412 213.1
[M+CH3COO]- 446.13977 205.9
[M+Na-2H]- 408.10059 198.8
[M]+ 387.12537 198.0
[M]- 387.12647 198.0
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.