CID 131448

Cmic

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

83
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

patents stripe