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]+ 203.15428 143.4
[M+Na]+ 225.13622 148.1
[M-H]- 201.13972 147.4
[M+NH4]+ 220.18082 161.0
[M+K]+ 241.11016 149.5
[M+H-H2O]+ 185.14426 137.1
[M+HCOO]- 247.14520 163.3
[M+CH3COO]- 261.16085 155.0
[M+Na-2H]- 223.12167 150.0
[M]+ 202.14645 138.7
[M]- 202.14755 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.