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]+ 425.15298 199.3
[M+Na]+ 447.13492 204.8
[M-H]- 423.13842 209.3
[M+NH4]+ 442.17952 208.7
[M+K]+ 463.10886 202.2
[M+H-H2O]+ 407.14296 189.9
[M+HCOO]- 469.14390 205.1
[M+CH3COO]- 483.15955 207.1
[M+Na-2H]- 445.12037 197.4
[M]+ 424.14515 196.9
[M]- 424.14625 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.