CID 67974

449-55-8

Structural Information

Molecular Formula
C14H13N
SMILES
C1C2=CC=CC=C2CNC3=CC=CC=C31
InChI
InChI=1S/C14H13N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-8,15H,9-10H2
InChIKey
YSHVGIKWUJCBLY-UHFFFAOYSA-N
Compound name
6,11-dihydro-5H-benzo[c][1]benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

275
Patents

195.1048 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.112076 139.9
[M+Na]+ 218.094018 146.6
[M-H]- 194.097524 143.7
[M+NH4]+ 213.138623 158.3
[M+K]+ 234.067958 145.0
[M+H-H2O]+ 178.102060 134.7
[M+HCOO]- 240.103001 158.0
[M+CH3COO]- 254.118651 151.8
[M+Na-2H]- 216.079466 149.3
[M]+ 195.10425142 134.0
[M]- 195.10534858 134.0
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