CID 9200

13h-dibenzo[a,i]carbazole

Structural Information

Molecular Formula
C20H13N
SMILES
C1=CC=C2C(=C1)C=CC3=C2NC4=C3C=CC5=CC=CC=C54
InChI
InChI=1S/C20H13N/c1-3-7-15-13(5-1)9-11-17-18-12-10-14-6-2-4-8-16(14)20(18)21-19(15)17/h1-12,21H
InChIKey
IUILSTHMSGDSHQ-UHFFFAOYSA-N
Compound name
12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

181
Patents

267.1048 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11208 158.5
[M+Na]+ 290.09402 170.8
[M-H]- 266.09752 164.3
[M+NH4]+ 285.13862 178.9
[M+K]+ 306.06796 161.9
[M+H-H2O]+ 250.10206 150.5
[M+HCOO]- 312.10300 179.0
[M+CH3COO]- 326.11865 171.3
[M+Na-2H]- 288.07947 168.8
[M]+ 267.10425 160.4
[M]- 267.10535 160.4
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