CID 41242

Brn 1477794

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]+ 259.180496 160.9
[M+Na]+ 281.162438 164.9
[M-H]- 257.165944 165.7
[M+NH4]+ 276.207043 176.4
[M+K]+ 297.136378 163.7
[M+H-H2O]+ 241.170480 152.1
[M+HCOO]- 303.171421 176.7
[M+CH3COO]- 317.187071 170.6
[M+Na-2H]- 279.147886 162.2
[M]+ 258.17267142 154.0
[M]- 258.17376858 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.