CID 213944

27354-66-1

Structural Information

Molecular Formula
C12H14N2OS
SMILES
C1CC2=C(C(=CC=C2)NC3=NCCO3)SC1
InChI
InChI=1S/C12H14N2OS/c1-3-9-4-2-8-16-11(9)10(5-1)14-12-13-6-7-15-12/h1,3,5H,2,4,6-8H2,(H,13,14)
InChIKey
BZXAUWCYYQIOBP-UHFFFAOYSA-N
Compound name
N-(3,4-dihydro-2H-thiochromen-8-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

234.08269 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08997 148.9
[M+Na]+ 257.07191 160.9
[M+NH4]+ 252.11651 159.1
[M+K]+ 273.04585 153.6
[M-H]- 233.07541 155.2
[M+Na-2H]- 255.05736 155.5
[M]+ 234.08214 152.9
[M]- 234.08324 152.9
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