CID 361387

Nsc624411

Structural Information

Molecular Formula
C27H17NO2
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C5=C(C=C4)C(=O)C6=CC=CC=C6C5=O
InChI
InChI=1S/C27H17NO2/c29-26-20-11-4-5-12-21(20)27(30)24-22(26)15-14-19-18-10-6-7-13-23(18)28(25(19)24)16-17-8-2-1-3-9-17/h1-15H,16H2
InChIKey
XNYJGKHSDWJGMA-UHFFFAOYSA-N
Compound name
12-benzylnaphtho[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 194.3
[M+Na]+ 410.11514 205.3
[M-H]- 386.11864 203.8
[M+NH4]+ 405.15974 209.7
[M+K]+ 426.08908 196.2
[M+H-H2O]+ 370.12318 183.4
[M+HCOO]- 432.12412 212.2
[M+CH3COO]- 446.13977 204.7
[M+Na-2H]- 408.10059 198.6
[M]+ 387.12537 196.6
[M]- 387.12647 196.6
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.