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

5
Patents

233.12045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12773 154.0
[M+Na]+ 256.10967 164.0
[M-H]- 232.11317 156.8
[M+NH4]+ 251.15427 169.7
[M+K]+ 272.08361 158.2
[M+H-H2O]+ 216.11771 142.7
[M+HCOO]- 278.11865 167.3
[M+CH3COO]- 292.13430 163.9
[M+Na-2H]- 254.09512 159.9
[M]+ 233.11990 145.6
[M]- 233.12100 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