CID 212766

24854-55-5

Structural Information

Molecular Formula
C23H26N2O3S
SMILES
CC1=CC=C(C=C1)N2C(=O)CSC23CCN(CC3)CC4COC5=CC=CC=C5O4
InChI
InChI=1S/C23H26N2O3S/c1-17-6-8-18(9-7-17)25-22(26)16-29-23(25)10-12-24(13-11-23)14-19-15-27-20-4-2-3-5-21(20)28-19/h2-9,19H,10-16H2,1H3
InChIKey
DIWRHGJLOANDNI-UHFFFAOYSA-N
Compound name
8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.1664 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.17368 195.8
[M+Na]+ 433.15562 209.3
[M+NH4]+ 428.20022 205.7
[M+K]+ 449.12956 199.6
[M-H]- 409.15912 205.0
[M+Na-2H]- 431.14107 202.6
[M]+ 410.16585 201.1
[M]- 410.16695 201.1
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

No patent data available for this compound.