CID 3066299

109920-76-5

Structural Information

Molecular Formula
C24H30N2O4
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1C(=O)CCC2=C3CC(=O)NC3=CC=C2)O
InChI
InChI=1S/C24H30N2O4/c1-24(2,3)25-14-17(27)15-30-22-10-5-4-8-18(22)21(28)12-11-16-7-6-9-20-19(16)13-23(29)26-20/h4-10,17,25,27H,11-15H2,1-3H3,(H,26,29)
InChIKey
OMFOKADGCTWVIP-UHFFFAOYSA-N
Compound name
4-[3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-oxopropyl]-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

410.22055 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.227826 201.6
[M+Na]+ 433.209768 204.6
[M-H]- 409.213274 204.3
[M+NH4]+ 428.254373 211.5
[M+K]+ 449.183708 199.7
[M+H-H2O]+ 393.217810 193.5
[M+HCOO]- 455.218751 215.8
[M+CH3COO]- 469.234401 224.4
[M+Na-2H]- 431.195216 200.7
[M]+ 410.22000142 202.0
[M]- 410.22109858 202.0
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