CID 297591

6,11-dihydro-5h-benzo[a]carbazole

Structural Information

Molecular Formula
C16H13N
SMILES
C1CC2=C(C3=CC=CC=C31)NC4=CC=CC=C24
InChI
InChI=1S/C16H13N/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-8,17H,9-10H2
InChIKey
UPUQYBJFFYMNQK-UHFFFAOYSA-N
Compound name
6,11-dihydro-5H-benzo[a]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

60
Patents

219.1048 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11208 146.1
[M+Na]+ 242.09402 156.1
[M-H]- 218.09752 150.2
[M+NH4]+ 237.13862 167.6
[M+K]+ 258.06796 149.1
[M+H-H2O]+ 202.10206 139.1
[M+HCOO]- 264.10300 165.8
[M+CH3COO]- 278.11865 159.0
[M+Na-2H]- 240.07947 154.9
[M]+ 219.10425 144.9
[M]- 219.10535 144.9
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