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

4
Patents

396.2049 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.212176 196.5
[M+Na]+ 419.194118 199.4
[M-H]- 395.197624 199.0
[M+NH4]+ 414.238723 206.8
[M+K]+ 435.168058 194.0
[M+H-H2O]+ 379.202160 187.6
[M+HCOO]- 441.203101 212.6
[M+CH3COO]- 455.218751 221.6
[M+Na-2H]- 417.179566 194.8
[M]+ 396.20435142 197.0
[M]- 396.20544858 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