CID 38637

Brn 0466720

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 218.5
[M+Na]+ 518.23898 227.6
[M+NH4]+ 513.28358 224.3
[M+K]+ 534.21292 219.6
[M-H]- 494.24248 220.5
[M+Na-2H]- 516.22443 225.1
[M]+ 495.24921 220.3
[M]- 495.25031 220.3
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.