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 160.9
[M+Na]+ 281.16244 164.9
[M-H]- 257.16594 165.7
[M+NH4]+ 276.20704 176.4
[M+K]+ 297.13638 163.7
[M+H-H2O]+ 241.17048 152.1
[M+HCOO]- 303.17142 176.7
[M+CH3COO]- 317.18707 170.6
[M+Na-2H]- 279.14789 162.2
[M]+ 258.17267 154.0
[M]- 258.17377 154.0
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.