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]+ 496.25704 223.7
[M+Na]+ 518.23898 229.0
[M-H]- 494.24248 230.8
[M+NH4]+ 513.28358 234.3
[M+K]+ 534.21292 222.9
[M+H-H2O]+ 478.24702 209.8
[M+HCOO]- 540.24796 240.3
[M+CH3COO]- 554.26361 251.9
[M+Na-2H]- 516.22443 222.3
[M]+ 495.24921 223.6
[M]- 495.25031 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.