CID 379670

Nsc664548

Structural Information

Molecular Formula
C12H14N2OS
SMILES
C1CSC2=CC=CC=C2C1NC3=NCCO3
InChI
InChI=1S/C12H14N2OS/c1-2-4-11-9(3-1)10(5-8-16-11)14-12-13-6-7-15-12/h1-4,10H,5-8H2,(H,13,14)
InChIKey
YEGCWAQTPNEBHN-UHFFFAOYSA-N
Compound name
N-(3,4-dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.08269 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08997 147.7
[M+Na]+ 257.07191 154.7
[M-H]- 233.07541 154.3
[M+NH4]+ 252.11651 166.0
[M+K]+ 273.04585 152.0
[M+H-H2O]+ 217.07995 140.9
[M+HCOO]- 279.08089 163.6
[M+CH3COO]- 293.09654 159.9
[M+Na-2H]- 255.05736 152.2
[M]+ 234.08214 146.2
[M]- 234.08324 146.2
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

No patent data available for this compound.