CID 155943385

1-methyl-3-(methylamino)-2,3,4,5-tetrahydro-1h-1-benzazepin-2-one hydrochloride

Structural Information

Molecular Formula
C12H16N2O
SMILES
CNC1CCC2=CC=CC=C2N(C1=O)C
InChI
InChI=1S/C12H16N2O/c1-13-10-8-7-9-5-3-4-6-11(9)14(2)12(10)15/h3-6,10,13H,7-8H2,1-2H3
InChIKey
IIZQQWGCPHLJRS-UHFFFAOYSA-N
Compound name
1-methyl-3-(methylamino)-4,5-dihydro-3H-1-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 142.3
[M+Na]+ 227.115488 148.6
[M-H]- 203.118994 146.7
[M+NH4]+ 222.160093 160.1
[M+K]+ 243.089428 150.0
[M+H-H2O]+ 187.123530 136.2
[M+HCOO]- 249.124471 162.4
[M+CH3COO]- 263.140121 191.8
[M+Na-2H]- 225.100936 148.1
[M]+ 204.12572142 137.9
[M]- 204.12681858 137.9
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.