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 152.7
[M+Na]+ 255.18317 155.9
[M-H]- 231.18667 157.2
[M+NH4]+ 250.22777 169.6
[M+K]+ 271.15711 157.6
[M+H-H2O]+ 215.19121 145.5
[M+HCOO]- 277.19215 172.0
[M+CH3COO]- 291.20780 200.3
[M+Na-2H]- 253.16862 157.7
[M]+ 232.19340 149.1
[M]- 232.19450 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