CID 47178

Brn 1512865

Structural Information

Molecular Formula
C25H33ClN2O
SMILES
CC(C)N(CCCN1C2=CC=CC=C2CCC(C1=O)C3=CC=C(C=C3)Cl)C(C)C
InChI
InChI=1S/C25H33ClN2O/c1-18(2)27(19(3)4)16-7-17-28-24-9-6-5-8-21(24)12-15-23(25(28)29)20-10-13-22(26)14-11-20/h5-6,8-11,13-14,18-19,23H,7,12,15-17H2,1-4H3
InChIKey
ICQVNPHZLORXIG-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-[3-[di(propan-2-yl)amino]propyl]-4,5-dihydro-3H-1-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.22815 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.23543 200.8
[M+Na]+ 435.21737 212.1
[M+NH4]+ 430.26197 207.8
[M+K]+ 451.19131 204.7
[M-H]- 411.22087 205.3
[M+Na-2H]- 433.20282 206.1
[M]+ 412.22760 204.1
[M]- 412.22870 204.1
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.