CID 3045493

60856-20-4

Structural Information

Molecular Formula
C23H27N3OS
SMILES
C1CN(CCC12CN=C3N(C2)C(CS3)(C4=CC=CC=C4)O)CC5=CC=CC=C5
InChI
InChI=1S/C23H27N3OS/c27-23(20-9-5-2-6-10-20)18-28-21-24-16-22(17-26(21)23)11-13-25(14-12-22)15-19-7-3-1-4-8-19/h1-10,27H,11-18H2
InChIKey
GQWBGOZCDZVOPK-UHFFFAOYSA-N
Compound name
1'-benzyl-3-phenylspiro[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

393.18747 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.19475 193.8
[M+Na]+ 416.17669 199.3
[M-H]- 392.18019 199.6
[M+NH4]+ 411.22129 207.0
[M+K]+ 432.15063 192.1
[M+H-H2O]+ 376.18473 182.3
[M+HCOO]- 438.18567 200.2
[M+CH3COO]- 452.20132 200.8
[M+Na-2H]- 414.16214 194.4
[M]+ 393.18692 187.9
[M]- 393.18802 187.9
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.