CID 36447

Brn 0503353

Structural Information

Molecular Formula
C28H33N3O2
SMILES
CN(C)CCCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=CC(=CC=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C28H33N3O2/c1-29(2)19-11-18-28(23-13-6-5-7-14-23)25-16-8-9-17-26(25)31(27(28)32)30(3)21-22-12-10-15-24(20-22)33-4/h5-10,12-17,20H,11,18-19,21H2,1-4H3
InChIKey
IBEYXWGPVWGWJP-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-1-[(3-methoxyphenyl)methyl-methylamino]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.25726 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.264536 212.0
[M+Na]+ 466.246478 216.8
[M-H]- 442.249984 223.2
[M+NH4]+ 461.291083 224.7
[M+K]+ 482.220418 212.5
[M+H-H2O]+ 426.254520 200.3
[M+HCOO]- 488.255461 234.0
[M+CH3COO]- 502.271111 243.6
[M+Na-2H]- 464.231926 212.1
[M]+ 443.25671142 216.6
[M]- 443.25780858 216.6
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.