CID 3040534

52419-67-7

Structural Information

Molecular Formula
C22H33N3O3S
SMILES
CCCCN1CCC2(CC1)CN=C3N(C2)C(CS3)(C4=C(C=CC(=C4)OC)OC)O
InChI
InChI=1S/C22H33N3O3S/c1-4-5-10-24-11-8-21(9-12-24)14-23-20-25(15-21)22(26,16-29-20)18-13-17(27-2)6-7-19(18)28-3/h6-7,13,26H,4-5,8-12,14-16H2,1-3H3
InChIKey
UZEKXLDJUGJXCY-UHFFFAOYSA-N
Compound name
1'-butyl-3-(2,5-dimethoxyphenyl)spiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.22427 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.23155 200.5
[M+Na]+ 442.21349 210.6
[M+NH4]+ 437.25809 210.2
[M+K]+ 458.18743 199.7
[M-H]- 418.21699 203.3
[M+Na-2H]- 440.19894 206.4
[M]+ 419.22372 203.4
[M]- 419.22482 203.4
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

No patent data available for this compound.