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]+ 233.164836 150.2
[M+Na]+ 255.146778 155.0
[M-H]- 231.150284 155.3
[M+NH4]+ 250.191383 167.3
[M+K]+ 271.120718 157.1
[M+H-H2O]+ 215.154820 143.4
[M+HCOO]- 277.155761 170.2
[M+CH3COO]- 291.171411 199.6
[M+Na-2H]- 253.132226 155.1
[M]+ 232.15701142 147.3
[M]- 232.15810858 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.