CID 39268

1,3-dihydro-3-ethoxy-1-(3-(ethylamino)propyl)-3-phenyl-2h-indol-2-one hydrochloride

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CCNCCCN1C2=CC=CC=C2C(C1=O)(C3=CC=CC=C3)OCC
InChI
InChI=1S/C21H26N2O2/c1-3-22-15-10-16-23-19-14-9-8-13-18(19)21(20(23)24,25-4-2)17-11-6-5-7-12-17/h5-9,11-14,22H,3-4,10,15-16H2,1-2H3
InChIKey
BLRVWFWGWIFGIH-UHFFFAOYSA-N
Compound name
3-ethoxy-1-[3-(ethylamino)propyl]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 182.5
[M+Na]+ 361.18865 189.3
[M-H]- 337.19215 188.3
[M+NH4]+ 356.23325 199.2
[M+K]+ 377.16259 183.9
[M+H-H2O]+ 321.19669 173.6
[M+HCOO]- 383.19763 203.9
[M+CH3COO]- 397.21328 214.5
[M+Na-2H]- 359.17410 185.7
[M]+ 338.19888 185.4
[M]- 338.19998 185.4
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.