CID 131448

131926-78-8

Structural Information

Molecular Formula
C20H13N3O
SMILES
COC1=C2C3=CC=CC=C3NC2=C4C(=C1C#N)C5=CC=CC=C5N4
InChI
InChI=1S/C20H13N3O/c1-24-20-13(10-21)16-11-6-2-4-8-14(11)22-18(16)19-17(20)12-7-3-5-9-15(12)23-19/h2-9,22-23H,1H3
InChIKey
ADLSFYJDHWUKFP-UHFFFAOYSA-N
Compound name
5-methoxy-11,12-dihydroindolo[2,3-a]carbazole-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

311.10587 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.11315 180.2
[M+Na]+ 334.09509 196.6
[M-H]- 310.09859 182.4
[M+NH4]+ 329.13969 196.8
[M+K]+ 350.06903 183.1
[M+H-H2O]+ 294.10313 166.4
[M+HCOO]- 356.10407 196.4
[M+CH3COO]- 370.11972 190.2
[M+Na-2H]- 332.08054 184.7
[M]+ 311.10532 179.4
[M]- 311.10642 179.4
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.