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]+ 409.212176 199.4
[M+Na]+ 431.194118 203.1
[M-H]- 407.197624 206.6
[M+NH4]+ 426.238723 206.7
[M+K]+ 447.168058 199.6
[M+H-H2O]+ 391.202160 188.9
[M+HCOO]- 453.203101 206.7
[M+CH3COO]- 467.218751 206.2
[M+Na-2H]- 429.179566 196.9
[M]+ 408.20435142 195.4
[M]- 408.20544858 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