CID 37646

1,3-dihydro-1-(3-(diethylamino)propyl)-3-ethyl-3-phenyl-2h-indol-2-one hydrochloride

Structural Information

Molecular Formula
C23H30N2O
SMILES
CCC1(C2=CC=CC=C2N(C1=O)CCCN(CC)CC)C3=CC=CC=C3
InChI
InChI=1S/C23H30N2O/c1-4-23(19-13-8-7-9-14-19)20-15-10-11-16-21(20)25(22(23)26)18-12-17-24(5-2)6-3/h7-11,13-16H,4-6,12,17-18H2,1-3H3
InChIKey
NNRFSJWVVBHHBG-UHFFFAOYSA-N
Compound name
1-[3-(diethylamino)propyl]-3-ethyl-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.2358 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.243076 188.9
[M+Na]+ 373.225018 195.0
[M-H]- 349.228524 195.8
[M+NH4]+ 368.269623 205.8
[M+K]+ 389.198958 189.9
[M+H-H2O]+ 333.233060 179.6
[M+HCOO]- 395.234001 209.9
[M+CH3COO]- 409.249651 221.6
[M+Na-2H]- 371.210466 190.0
[M]+ 350.23525142 192.2
[M]- 350.23634858 192.2
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.