CID 3078576

4,5-dihydro-n-(1-methylethyl)-1h-3-benzazepin-2-amine monohydriodide

Structural Information

Molecular Formula
C13H18N2
SMILES
CC(C)NC1=NCCC2=CC=CC=C2C1
InChI
InChI=1S/C13H18N2/c1-10(2)15-13-9-12-6-4-3-5-11(12)7-8-14-13/h3-6,10H,7-9H2,1-2H3,(H,14,15)
InChIKey
MGPHSWHIOVPYCY-UHFFFAOYSA-N
Compound name
N-propan-2-yl-2,5-dihydro-1H-3-benzazepin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.147 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.154276 143.4
[M+Na]+ 225.136218 148.1
[M-H]- 201.139724 147.4
[M+NH4]+ 220.180823 161.0
[M+K]+ 241.110158 149.5
[M+H-H2O]+ 185.144260 137.1
[M+HCOO]- 247.145201 163.3
[M+CH3COO]- 261.160851 155.0
[M+Na-2H]- 223.121666 150.0
[M]+ 202.14645142 138.7
[M]- 202.14754858 138.7
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.