CID 36496

Brn 0502049

Structural Information

Molecular Formula
C29H35N3O
SMILES
CCN(CC)CCC1(C2=CC=CC=C2N(C1=O)N(C)CCC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H35N3O/c1-4-31(5-2)23-21-29(25-16-10-7-11-17-25)26-18-12-13-19-27(26)32(28(29)33)30(3)22-20-24-14-8-6-9-15-24/h6-19H,4-5,20-23H2,1-3H3
InChIKey
TUAQCGMVPNNPGW-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]-1-[methyl(2-phenylethyl)amino]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.278 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.28528 213.3
[M+Na]+ 464.26722 217.0
[M-H]- 440.27072 223.9
[M+NH4]+ 459.31182 225.9
[M+K]+ 480.24116 211.6
[M+H-H2O]+ 424.27526 201.3
[M+HCOO]- 486.27620 234.8
[M+CH3COO]- 500.29185 243.2
[M+Na-2H]- 462.25267 213.4
[M]+ 441.27745 216.4
[M]- 441.27855 216.4
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.