CID 41240

54951-16-5

Structural Information

Molecular Formula
C18H28N2O
SMILES
CC(C)N(CCN1C(=O)CCCC2=CC=CC=C21)C(C)C
InChI
InChI=1S/C18H28N2O/c1-14(2)19(15(3)4)12-13-20-17-10-6-5-8-16(17)9-7-11-18(20)21/h5-6,8,10,14-15H,7,9,11-13H2,1-4H3
InChIKey
PQQWTNHZXGJTDN-UHFFFAOYSA-N
Compound name
1-[2-[di(propan-2-yl)amino]ethyl]-4,5-dihydro-3H-1-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.22743 168.0
[M+Na]+ 311.20937 176.5
[M+NH4]+ 306.25397 174.8
[M+K]+ 327.18331 171.8
[M-H]- 287.21287 170.0
[M+Na-2H]- 309.19482 171.8
[M]+ 288.21960 169.6
[M]- 288.22070 169.6
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.