CID 36450

Brn 0504029

Structural Information

Molecular Formula
C28H33N3O2
SMILES
CN(C)CCCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=CC=C(C=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C28H33N3O2/c1-29(2)20-10-19-28(23-11-6-5-7-12-23)25-13-8-9-14-26(25)31(27(28)32)30(3)21-22-15-17-24(33-4)18-16-22/h5-9,11-18H,10,19-21H2,1-4H3
InChIKey
ZTJKTXAAJKSBKX-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-1-[(4-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 211.8
[M+Na]+ 466.24648 224.9
[M+NH4]+ 461.29108 220.7
[M+K]+ 482.22042 215.7
[M-H]- 442.24998 219.4
[M+Na-2H]- 464.23193 221.5
[M]+ 443.25671 216.0
[M]- 443.25781 216.0
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.