CID 8966

Azapetine

Structural Information

Molecular Formula
C17H17N
SMILES
C=CCN1CC2=CC=CC=C2C3=CC=CC=C3C1
InChI
InChI=1S/C17H17N/c1-2-11-18-12-14-7-3-5-9-16(14)17-10-6-4-8-15(17)13-18/h2-10H,1,11-13H2
InChIKey
NYGHGTMKALXFIA-UHFFFAOYSA-N
Compound name
6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

39
References

246
Patents

235.1361 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.14338 153.1
[M+Na]+ 258.12532 166.6
[M+NH4]+ 253.16992 162.4
[M+K]+ 274.09926 158.6
[M-H]- 234.12882 156.9
[M+Na-2H]- 256.11077 160.5
[M]+ 235.13555 156.3
[M]- 235.13665 156.3
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