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]+ 335.211776 181.4
[M+Na]+ 357.193718 184.5
[M-H]- 333.197224 186.3
[M+NH4]+ 352.238323 192.9
[M+K]+ 373.167658 182.0
[M+H-H2O]+ 317.201760 171.8
[M+HCOO]- 379.202701 193.4
[M+CH3COO]- 393.218351 189.0
[M+Na-2H]- 355.179166 184.2
[M]+ 334.20395142 173.8
[M]- 334.20504858 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