CID 210636

21457-11-4

Structural Information

Molecular Formula
C16H22N2S
SMILES
CC1=CSC2=NC3(CCCCC3)C4=C(N12)CCCC4
InChI
InChI=1S/C16H22N2S/c1-12-11-19-15-17-16(9-5-2-6-10-16)13-7-3-4-8-14(13)18(12)15/h11H,2-10H2,1H3
InChIKey
FMIISJAMACUXBL-UHFFFAOYSA-N
Compound name
1-methylspiro[6,7,8,9-tetrahydro-[1,3]thiazolo[3,2-a]quinazoline-5,1'-cyclohexane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.15036 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15764 163.1
[M+Na]+ 297.13958 169.7
[M-H]- 273.14308 166.5
[M+NH4]+ 292.18418 183.3
[M+K]+ 313.11352 164.6
[M+H-H2O]+ 257.14762 155.1
[M+HCOO]- 319.14856 171.3
[M+CH3COO]- 333.16421 173.0
[M+Na-2H]- 295.12503 164.6
[M]+ 274.14981 158.2
[M]- 274.15091 158.2
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.