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

1
Patents

410.22055 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.22783 201.6
[M+Na]+ 433.20977 204.6
[M-H]- 409.21327 204.3
[M+NH4]+ 428.25437 211.5
[M+K]+ 449.18371 199.7
[M+H-H2O]+ 393.21781 193.5
[M+HCOO]- 455.21875 215.8
[M+CH3COO]- 469.23440 224.4
[M+Na-2H]- 431.19522 200.7
[M]+ 410.22000 202.0
[M]- 410.22110 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