CID 210638

Spiro(cyclopentane-1,5'(6'h)-cyclopenta(e)thiazolo(3,2-a)pyrimidine), 7',8'-dihydro-1'-methyl-, monohydrobromide

Structural Information

Molecular Formula
C14H18N2S
SMILES
CC1=CSC2=NC3(CCCC3)C4=C(N12)CCC4
InChI
InChI=1S/C14H18N2S/c1-10-9-17-13-15-14(7-2-3-8-14)11-5-4-6-12(11)16(10)13/h9H,2-8H2,1H3
InChIKey
LAZJANLJGGEFDN-UHFFFAOYSA-N
Compound name
12-methylspiro[10-thia-1,8-diazatricyclo[7.3.0.02,6]dodeca-2(6),8,11-triene-7,1'-cyclopentane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.11906 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12634 158.6
[M+Na]+ 269.10828 168.6
[M-H]- 245.11178 164.3
[M+NH4]+ 264.15288 184.2
[M+K]+ 285.08222 164.9
[M+H-H2O]+ 229.11632 153.3
[M+HCOO]- 291.11726 172.5
[M+CH3COO]- 305.13291 171.2
[M+Na-2H]- 267.09373 157.2
[M]+ 246.11851 158.5
[M]- 246.11961 158.5
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.