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

3
Patents

232.19395 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.201226 152.7
[M+Na]+ 255.183168 155.9
[M-H]- 231.186674 157.2
[M+NH4]+ 250.227773 169.6
[M+K]+ 271.157108 157.6
[M+H-H2O]+ 215.191210 145.5
[M+HCOO]- 277.192151 172.0
[M+CH3COO]- 291.207801 200.3
[M+Na-2H]- 253.168616 157.7
[M]+ 232.19340142 149.1
[M]- 232.19449858 149.1
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