CID 33749

27229-21-6

Structural Information

Molecular Formula
C25H33ClN4O
SMILES
CN(C)C1(CCN(CC1)CCCN2C3=CC=CC=C3CCC4=C2C=C(C=C4)Cl)C(=O)N
InChI
InChI=1S/C25H33ClN4O/c1-28(2)25(24(27)31)12-16-29(17-13-25)14-5-15-30-22-7-4-3-6-19(22)8-9-20-10-11-21(26)18-23(20)30/h3-4,6-7,10-11,18H,5,8-9,12-17H2,1-2H3,(H2,27,31)
InChIKey
YRHVLGVJEWLMLK-UHFFFAOYSA-N
Compound name
1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(dimethylamino)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.23428 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.24156 205.9
[M+Na]+ 463.22350 216.0
[M+NH4]+ 458.26810 214.0
[M+K]+ 479.19744 207.2
[M-H]- 439.22700 210.6
[M+Na-2H]- 461.20895 211.4
[M]+ 440.23373 209.1
[M]- 440.23483 209.1
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.