CID 34114

28028-00-4

Structural Information

Molecular Formula
C25H32N4O
SMILES
CN(C)C1(CCN(CC1)CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)C(=O)N
InChI
InChI=1S/C25H32N4O/c1-27(2)25(24(26)30)14-18-28(19-15-25)16-7-17-29-22-10-5-3-8-20(22)12-13-21-9-4-6-11-23(21)29/h3-6,8-13H,7,14-19H2,1-2H3,(H2,26,30)
InChIKey
QLBJERFKRBVDSN-UHFFFAOYSA-N
Compound name
1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-(dimethylamino)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.2576 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.26488 201.4
[M+Na]+ 427.24682 204.6
[M-H]- 403.25032 207.6
[M+NH4]+ 422.29142 212.1
[M+K]+ 443.22076 203.4
[M+H-H2O]+ 387.25486 190.4
[M+HCOO]- 449.25580 215.5
[M+CH3COO]- 463.27145 208.2
[M+Na-2H]- 425.23227 203.6
[M]+ 404.25705 196.1
[M]- 404.25815 196.1
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.