CID 36501

Brn 0504020

Structural Information

Molecular Formula
C29H34ClN3O
SMILES
CCN(CC)CCCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=CC=CC=C3Cl)C4=CC=CC=C4
InChI
InChI=1S/C29H34ClN3O/c1-4-32(5-2)21-13-20-29(24-15-7-6-8-16-24)25-17-10-12-19-27(25)33(28(29)34)31(3)22-23-14-9-11-18-26(23)30/h6-12,14-19H,4-5,13,20-22H2,1-3H3
InChIKey
DMUOXOYQJUHYPM-UHFFFAOYSA-N
Compound name
1-[(2-chlorophenyl)methyl-methylamino]-3-[3-(diethylamino)propyl]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.23904 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.24632 221.7
[M+Na]+ 498.22826 227.1
[M-H]- 474.23176 232.3
[M+NH4]+ 493.27286 234.1
[M+K]+ 514.20220 220.2
[M+H-H2O]+ 458.23630 210.2
[M+HCOO]- 520.23724 238.6
[M+CH3COO]- 534.25289 247.6
[M+Na-2H]- 496.21371 220.4
[M]+ 475.23849 227.7
[M]- 475.23959 227.7
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.