CID 41242

54951-27-8

Structural Information

Molecular Formula
C16H22N2O
SMILES
C1CCN(C1)CCN2C(=O)CCCC3=CC=CC=C32
InChI
InChI=1S/C16H22N2O/c19-16-9-5-7-14-6-1-2-8-15(14)18(16)13-12-17-10-3-4-11-17/h1-2,6,8H,3-5,7,9-13H2
InChIKey
UFDPCEODINHIQK-UHFFFAOYSA-N
Compound name
1-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.17322 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 162.9
[M+Na]+ 281.16244 172.4
[M+NH4]+ 276.20704 170.5
[M+K]+ 297.13638 168.0
[M-H]- 257.16594 165.5
[M+Na-2H]- 279.14789 167.7
[M]+ 258.17267 164.9
[M]- 258.17377 164.9
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.