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]+ 247.126336 158.6
[M+Na]+ 269.108278 168.6
[M-H]- 245.111784 164.3
[M+NH4]+ 264.152883 184.2
[M+K]+ 285.082218 164.9
[M+H-H2O]+ 229.116320 153.3
[M+HCOO]- 291.117261 172.5
[M+CH3COO]- 305.132911 171.2
[M+Na-2H]- 267.093726 157.2
[M]+ 246.11851142 158.5
[M]- 246.11960858 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.