CID 36442

3-(3-(dimethylamino)propyl)-1-((o-fluorobenzyl)methylamino)-3-phenyl-2-indolinone

Structural Information

Molecular Formula
C27H30FN3O
SMILES
CN(C)CCCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=CC=CC=C3F)C4=CC=CC=C4
InChI
InChI=1S/C27H30FN3O/c1-29(2)19-11-18-27(22-13-5-4-6-14-22)23-15-8-10-17-25(23)31(26(27)32)30(3)20-21-12-7-9-16-24(21)28/h4-10,12-17H,11,18-20H2,1-3H3
InChIKey
CHWRTGWZQXNMIQ-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-1-[(2-fluorophenyl)methyl-methylamino]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.2373 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.24458 208.0
[M+Na]+ 454.22652 220.7
[M+NH4]+ 449.27112 216.7
[M+K]+ 470.20046 211.2
[M-H]- 430.23002 214.5
[M+Na-2H]- 452.21197 217.4
[M]+ 431.23675 211.8
[M]- 431.23785 211.8
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.