CID 36445

Brn 0503722

Structural Information

Molecular Formula
C28H33N3O2
SMILES
CN(C)CCCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=CC=CC=C3OC)C4=CC=CC=C4
InChI
InChI=1S/C28H33N3O2/c1-29(2)20-12-19-28(23-14-6-5-7-15-23)24-16-9-10-17-25(24)31(27(28)32)30(3)21-22-13-8-11-18-26(22)33-4/h5-11,13-18H,12,19-21H2,1-4H3
InChIKey
GSGNIJLOVQBZPK-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-1-[(2-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]+ 444.26454 212.0
[M+Na]+ 466.24648 216.8
[M-H]- 442.24998 223.2
[M+NH4]+ 461.29108 224.7
[M+K]+ 482.22042 212.5
[M+H-H2O]+ 426.25452 200.3
[M+HCOO]- 488.25546 234.0
[M+CH3COO]- 502.27111 243.6
[M+Na-2H]- 464.23193 212.1
[M]+ 443.25671 216.6
[M]- 443.25781 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.