CID 34160

28121-31-5

Structural Information

Molecular Formula
C25H31ClN4O
SMILES
CN(C)C1(CCN(CC1)CCCN2C3=C(C=CC4=CC=CC=C42)C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C25H31ClN4O/c1-28(2)25(24(27)31)12-16-29(17-13-25)14-5-15-30-22-7-4-3-6-19(22)8-9-20-18-21(26)10-11-23(20)30/h3-4,6-11,18H,5,12-17H2,1-2H3,(H2,27,31)
InChIKey
ZNISZLHVWJQLNH-UHFFFAOYSA-N
Compound name
1-[3-(3-chlorobenzo[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

438.21863 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.22591 205.2
[M+Na]+ 461.20785 216.2
[M+NH4]+ 456.25245 213.3
[M+K]+ 477.18179 207.0
[M-H]- 437.21135 210.0
[M+Na-2H]- 459.19330 211.4
[M]+ 438.21808 208.5
[M]- 438.21918 208.5
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.