CID 3058852

Naphth(1',2':4,5)imidazo(2,1-b)thiazole, 5,6,6a,8,9,11a-hexahydro-, (z)-, monohydrochloride

Structural Information

Molecular Formula
C13H14N2S
SMILES
C1CC2=CC=CC=C2[C@@H]3[C@H]1N4CCSC4=N3
InChI
InChI=1S/C13H14N2S/c1-2-4-10-9(3-1)5-6-11-12(10)14-13-15(11)7-8-16-13/h1-4,11-12H,5-8H2/t11-,12+/m0/s1
InChIKey
JKOXYKRKFOMZGF-NWDGAFQWSA-N
Compound name
(1R,10S)-14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,15-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

230.08777 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.09505 149.2
[M+Na]+ 253.07699 158.9
[M-H]- 229.08049 153.1
[M+NH4]+ 248.12159 172.3
[M+K]+ 269.05093 154.6
[M+H-H2O]+ 213.08503 143.4
[M+HCOO]- 275.08597 162.3
[M+CH3COO]- 289.10162 161.7
[M+Na-2H]- 251.06244 151.2
[M]+ 230.08722 149.2
[M]- 230.08832 149.2
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

patents stripe