CID 37007

1-benzyl-3-(2-(diethylamino)ethoxy)-3-methyl-2-indolinone hydrochloride

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CCN(CC)CCOC1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)C
InChI
InChI=1S/C22H28N2O2/c1-4-23(5-2)15-16-26-22(3)19-13-9-10-14-20(19)24(21(22)25)17-18-11-7-6-8-12-18/h6-14H,4-5,15-17H2,1-3H3
InChIKey
ZTSAQKNFZWRCSF-UHFFFAOYSA-N
Compound name
1-benzyl-3-[2-(diethylamino)ethoxy]-3-methylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.222376 187.4
[M+Na]+ 375.204318 193.8
[M-H]- 351.207824 194.5
[M+NH4]+ 370.248923 204.2
[M+K]+ 391.178258 189.7
[M+H-H2O]+ 335.212360 178.3
[M+HCOO]- 397.213301 209.0
[M+CH3COO]- 411.228951 220.7
[M+Na-2H]- 373.189766 189.3
[M]+ 352.21455142 191.9
[M]- 352.21564858 191.9
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.