CID 131447

Cmmc

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

167
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

patents stripe