CID 3045495

60856-45-3

Structural Information

Molecular Formula
C24H33Cl2N3S
SMILES
CCCCCCCCN1CCC2(CC1)CN=C3N(C2)C(=CS3)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H33Cl2N3S/c1-2-3-4-5-6-7-12-28-13-10-24(11-14-28)17-27-23-29(18-24)22(16-30-23)19-8-9-20(25)21(26)15-19/h8-9,15-16H,2-7,10-14,17-18H2,1H3
InChIKey
WXCSABOVMKVGTL-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-1'-octylspiro[5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.17722 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.18450 210.6
[M+Na]+ 488.16644 216.9
[M-H]- 464.16994 213.5
[M+NH4]+ 483.21104 222.0
[M+K]+ 504.14038 208.0
[M+H-H2O]+ 448.17448 200.4
[M+HCOO]- 510.17542 208.0
[M+CH3COO]- 524.19107 216.4
[M+Na-2H]- 486.15189 205.8
[M]+ 465.17667 212.3
[M]- 465.17777 212.3
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.