CID 3040536

52419-69-9

Structural Information

Molecular Formula
C27H29N3OS
SMILES
C1CN(CCC12CN=C3N(C2)C(CS3)(C4=CC5=CC=CC=C5C=C4)O)CC6=CC=CC=C6
InChI
InChI=1S/C27H29N3OS/c31-27(24-11-10-22-8-4-5-9-23(22)16-24)20-32-25-28-18-26(19-30(25)27)12-14-29(15-13-26)17-21-6-2-1-3-7-21/h1-11,16,31H,12-15,17-20H2
InChIKey
IIQXTRMMKWBRMF-UHFFFAOYSA-N
Compound name
1'-benzyl-3-naphthalen-2-ylspiro[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

443.20312 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.21040 206.0
[M+Na]+ 466.19234 211.8
[M-H]- 442.19584 212.2
[M+NH4]+ 461.23694 217.8
[M+K]+ 482.16628 203.3
[M+H-H2O]+ 426.20038 193.0
[M+HCOO]- 488.20132 210.6
[M+CH3COO]- 502.21697 211.9
[M+Na-2H]- 464.17779 206.6
[M]+ 443.20257 200.3
[M]- 443.20367 200.3
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.