CID 38637

3-(2-(diethylamino)ethyl)-3-phenyl-1-((o-trifluoromethylbenzyl)methylamino)-2-indolinone

Structural Information

Molecular Formula
C29H32F3N3O
SMILES
CCN(CC)CCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=CC=CC=C3C(F)(F)F)C4=CC=CC=C4
InChI
InChI=1S/C29H32F3N3O/c1-4-34(5-2)20-19-28(23-14-7-6-8-15-23)25-17-11-12-18-26(25)35(27(28)36)33(3)21-22-13-9-10-16-24(22)29(30,31)32/h6-18H,4-5,19-21H2,1-3H3
InChIKey
XTSLUTSCLFJVIK-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.24976 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.257036 223.7
[M+Na]+ 518.238978 229.0
[M-H]- 494.242484 230.8
[M+NH4]+ 513.283583 234.3
[M+K]+ 534.212918 222.9
[M+H-H2O]+ 478.247020 209.8
[M+HCOO]- 540.247961 240.3
[M+CH3COO]- 554.263611 251.9
[M+Na-2H]- 516.224426 222.3
[M]+ 495.24921142 223.6
[M]- 495.25030858 223.6
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.