CID 212762

Brn 0589997

Structural Information

Molecular Formula
C23H24N2O4S
SMILES
CC1C(=O)N(C2(S1)CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)C5=CC=CC=C5
InChI
InChI=1S/C23H24N2O4S/c1-16-21(26)25(17-7-3-2-4-8-17)23(30-16)11-13-24(14-12-23)22(27)20-15-28-18-9-5-6-10-19(18)29-20/h2-10,16,20H,11-15H2,1H3
InChIKey
HRMNLWXJKZQJRB-UHFFFAOYSA-N
Compound name
8-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-2-methyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1457 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.152976 199.3
[M+Na]+ 447.134918 204.8
[M-H]- 423.138424 209.3
[M+NH4]+ 442.179523 208.7
[M+K]+ 463.108858 202.2
[M+H-H2O]+ 407.142960 189.9
[M+HCOO]- 469.143901 205.1
[M+CH3COO]- 483.159551 207.1
[M+Na-2H]- 445.120366 197.4
[M]+ 424.14515142 196.9
[M]- 424.14624858 196.9
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.