CID 3058853

Naphth(2',1':4,5)imidazo(2,1-b)thiazole, 5,6,6a,9,10,11a-hexahydro-, (z)-

Structural Information

Molecular Formula
C13H14N2S
SMILES
C1CC2=CC=CC=C2[C@H]3[C@@H]1N=C4N3CCS4
InChI
InChI=1S/C13H14N2S/c1-2-4-10-9(3-1)5-6-11-12(10)15-7-8-16-13(15)14-11/h1-4,11-12H,5-8H2/t11-,12+/m1/s1
InChIKey
VCUHMAHSHXOKPT-NEPJUHHUSA-N
Compound name
(1S,10R)-13-thia-11,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,11-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

230.08777 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.09505 149.0
[M+Na]+ 253.07699 161.2
[M+NH4]+ 248.12159 160.4
[M+K]+ 269.05093 154.7
[M-H]- 229.08049 152.0
[M+Na-2H]- 251.06244 152.6
[M]+ 230.08722 152.1
[M]- 230.08832 152.1
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