CID 36448

Brn 0503386

Structural Information

Molecular Formula
C27H31N3O2
SMILES
CN(C)CCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=CC=C(C=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C27H31N3O2/c1-28(2)19-18-27(22-10-6-5-7-11-22)24-12-8-9-13-25(24)30(26(27)31)29(3)20-21-14-16-23(32-4)17-15-21/h5-17H,18-20H2,1-4H3
InChIKey
KCGFEGVWWDDRAE-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethyl]-1-[(4-methoxyphenyl)methyl-methylamino]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.24164 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.24892 207.3
[M+Na]+ 452.23086 220.7
[M+NH4]+ 447.27546 216.4
[M+K]+ 468.20480 211.7
[M-H]- 428.23436 215.0
[M+Na-2H]- 450.21631 217.4
[M]+ 429.24109 211.7
[M]- 429.24219 211.7
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.