CID 3066301

109920-79-8

Structural Information

Molecular Formula
C23H28N2O4
SMILES
CCCNCC(COC1=CC=CC=C1C(=O)CCC2=C3CC(=O)NC3=CC=C2)O
InChI
InChI=1S/C23H28N2O4/c1-2-12-24-14-17(26)15-29-22-9-4-3-7-18(22)21(27)11-10-16-6-5-8-20-19(16)13-23(28)25-20/h3-9,17,24,26H,2,10-15H2,1H3,(H,25,28)
InChIKey
YEVQKAGLVSGKQP-UHFFFAOYSA-N
Compound name
4-[3-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-oxopropyl]-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

396.2049 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.21218 196.5
[M+Na]+ 419.19412 199.4
[M-H]- 395.19762 199.0
[M+NH4]+ 414.23872 206.8
[M+K]+ 435.16806 194.0
[M+H-H2O]+ 379.20216 187.6
[M+HCOO]- 441.20310 212.6
[M+CH3COO]- 455.21875 221.6
[M+Na-2H]- 417.17957 194.8
[M]+ 396.20435 197.0
[M]- 396.20545 197.0
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

patents stripe