CID 131447

6-cyano-5-methoxy-12-methylindolo(2,3-a)carbazole

Structural Information

Molecular Formula
C21H15N3O
SMILES
CN1C2=CC=CC=C2C3=C(C(=C4C5=CC=CC=C5NC4=C31)C#N)OC
InChI
InChI=1S/C21H15N3O/c1-24-16-10-6-4-8-13(16)18-20(24)19-17(14(11-22)21(18)25-2)12-7-3-5-9-15(12)23-19/h3-10,23H,1-2H3
InChIKey
RZBCCAZHJQZKLL-UHFFFAOYSA-N
Compound name
5-methoxy-12-methyl-11H-indolo[2,3-a]carbazole-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

325.12152 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.12880 184.9
[M+Na]+ 348.11074 201.9
[M-H]- 324.11424 188.3
[M+NH4]+ 343.15534 201.8
[M+K]+ 364.08468 188.9
[M+H-H2O]+ 308.11878 170.7
[M+HCOO]- 370.11972 202.0
[M+CH3COO]- 384.13537 195.3
[M+Na-2H]- 346.09619 188.4
[M]+ 325.12097 186.1
[M]- 325.12207 186.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.