CID 205109

1h-3-benzazepine, 2,3,4,5-tetrahydro-3-(3-(dimethylamino)propyl)-, dihydrochloride

Structural Information

Molecular Formula
C15H24N2
SMILES
CN(C)CCCN1CCC2=CC=CC=C2CC1
InChI
InChI=1S/C15H24N2/c1-16(2)10-5-11-17-12-8-14-6-3-4-7-15(14)9-13-17/h3-4,6-7H,5,8-13H2,1-2H3
InChIKey
WKDNQBRSDIVFON-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.19395 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.20123 154.0
[M+Na]+ 255.18317 163.8
[M+NH4]+ 250.22777 162.3
[M+K]+ 271.15711 157.7
[M-H]- 231.18667 157.2
[M+Na-2H]- 253.16862 159.9
[M]+ 232.19340 156.3
[M]- 232.19450 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.