CID 3061036

78583-37-6

Structural Information

Molecular Formula
C24H28N2O4
SMILES
CN1C2=CC=CC=C2C(C1=O)C3CCN(CC3)CC(C4COC5=CC=CC=C5O4)O
InChI
InChI=1S/C24H28N2O4/c1-25-18-7-3-2-6-17(18)23(24(25)28)16-10-12-26(13-11-16)14-19(27)22-15-29-20-8-4-5-9-21(20)30-22/h2-9,16,19,22-23,27H,10-15H2,1H3
InChIKey
HVMMIRCPGHLNAN-UHFFFAOYSA-N
Compound name
3-[1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]piperidin-4-yl]-1-methyl-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

408.2049 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.21218 199.4
[M+Na]+ 431.19412 203.1
[M-H]- 407.19762 206.6
[M+NH4]+ 426.23872 206.7
[M+K]+ 447.16806 199.6
[M+H-H2O]+ 391.20216 188.9
[M+HCOO]- 453.20310 206.7
[M+CH3COO]- 467.21875 206.2
[M+Na-2H]- 429.17957 196.9
[M]+ 408.20435 195.4
[M]- 408.20545 195.4
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