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]+ 205.13355 142.3
[M+Na]+ 227.11549 148.6
[M-H]- 203.11899 146.7
[M+NH4]+ 222.16009 160.1
[M+K]+ 243.08943 150.0
[M+H-H2O]+ 187.12353 136.2
[M+HCOO]- 249.12447 162.4
[M+CH3COO]- 263.14012 191.8
[M+Na-2H]- 225.10094 148.1
[M]+ 204.12572 137.9
[M]- 204.12682 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.