CID 3040544

52419-76-8

Structural Information

Molecular Formula
C24H31N3OS
SMILES
CCCCN1CCC2(CC1)CN=C3N(C2)C(CS3)(C4=CC5=CC=CC=C5C=C4)O
InChI
InChI=1S/C24H31N3OS/c1-2-3-12-26-13-10-23(11-14-26)16-25-22-27(17-23)24(28,18-29-22)21-9-8-19-6-4-5-7-20(19)15-21/h4-9,15,28H,2-3,10-14,16-18H2,1H3
InChIKey
YBWSPPRELFVRSD-UHFFFAOYSA-N
Compound name
1'-butyl-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

409.21878 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.22606 198.6
[M+Na]+ 432.20800 204.3
[M-H]- 408.21150 201.8
[M+NH4]+ 427.25260 212.6
[M+K]+ 448.18194 196.9
[M+H-H2O]+ 392.21604 187.6
[M+HCOO]- 454.21698 202.9
[M+CH3COO]- 468.23263 205.0
[M+Na-2H]- 430.19345 198.8
[M]+ 409.21823 194.7
[M]- 409.21933 194.7
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.