CID 213300

Brn 1398653

Structural Information

Molecular Formula
C22H26N2O
SMILES
C1CCN(CC1)CCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42
InChI
InChI=1S/C22H26N2O/c25-22(14-17-23-15-6-1-7-16-23)24-20-10-4-2-8-18(20)12-13-19-9-3-5-11-21(19)24/h2-5,8-11H,1,6-7,12-17H2
InChIKey
HZJCVBIFQOESNH-UHFFFAOYSA-N
Compound name
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

334.2045 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.21178 181.4
[M+Na]+ 357.19372 184.5
[M-H]- 333.19722 186.3
[M+NH4]+ 352.23832 192.9
[M+K]+ 373.16766 182.0
[M+H-H2O]+ 317.20176 171.8
[M+HCOO]- 379.20270 193.4
[M+CH3COO]- 393.21835 189.0
[M+Na-2H]- 355.17917 184.2
[M]+ 334.20395 173.8
[M]- 334.20505 173.8
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

patents stripe