CID 3040229

Propynyl dibenzazepine hydrochloride

Structural Information

Molecular Formula
C17H15N
SMILES
C#CCN1CC2=CC=CC=C2C3=CC=CC=C3C1
InChI
InChI=1S/C17H15N/c1-2-11-18-12-14-7-3-5-9-16(14)17-10-6-4-8-15(17)13-18/h1,3-10H,11-13H2
InChIKey
LTUKIBYXZOVXHA-UHFFFAOYSA-N
Compound name
6-prop-2-ynyl-5,7-dihydrobenzo[d][2]benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

233.12045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.127726 154.0
[M+Na]+ 256.109668 164.0
[M-H]- 232.113174 156.8
[M+NH4]+ 251.154273 169.7
[M+K]+ 272.083608 158.2
[M+H-H2O]+ 216.117710 142.7
[M+HCOO]- 278.118651 167.3
[M+CH3COO]- 292.134301 163.9
[M+Na-2H]- 254.095116 159.9
[M]+ 233.11990142 145.6
[M]- 233.12099858 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe