CID 36437

Brn 0502938

Structural Information

Molecular Formula
C27H30ClN3O
SMILES
CN(C)CCCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=CC(=CC=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C27H30ClN3O/c1-29(2)18-10-17-27(22-12-5-4-6-13-22)24-15-7-8-16-25(24)31(26(27)32)30(3)20-21-11-9-14-23(28)19-21/h4-9,11-16,19H,10,17-18,20H2,1-3H3
InChIKey
HWXOOALAKKHWQE-UHFFFAOYSA-N
Compound name
1-[(3-chlorophenyl)methyl-methylamino]-3-[3-(dimethylamino)propyl]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.20773 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.21501 212.9
[M+Na]+ 470.19695 219.2
[M-H]- 446.20045 223.9
[M+NH4]+ 465.24155 226.4
[M+K]+ 486.17089 212.7
[M+H-H2O]+ 430.20499 201.8
[M+HCOO]- 492.20593 230.5
[M+CH3COO]- 506.22158 221.9
[M+Na-2H]- 468.18240 212.6
[M]+ 447.20718 218.2
[M]- 447.20828 218.2
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.