CID 41244

54951-29-0

Structural Information

Molecular Formula
C14H20N2O
SMILES
CN(C)CCN1C(=O)CCCC2=CC=CC=C21
InChI
InChI=1S/C14H20N2O/c1-15(2)10-11-16-13-8-4-3-6-12(13)7-5-9-14(16)17/h3-4,6,8H,5,7,9-11H2,1-2H3
InChIKey
TWCFVUDIMLCADK-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-4,5-dihydro-3H-1-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.15756 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 150.2
[M+Na]+ 255.14678 155.0
[M-H]- 231.15028 155.3
[M+NH4]+ 250.19138 167.3
[M+K]+ 271.12072 157.1
[M+H-H2O]+ 215.15482 143.4
[M+HCOO]- 277.15576 170.2
[M+CH3COO]- 291.17141 199.6
[M+Na-2H]- 253.13223 155.1
[M]+ 232.15701 147.3
[M]- 232.15811 147.3
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.