CID 3039354

50510-13-9

Structural Information

Molecular Formula
C11H14N2O2S
SMILES
COC1=CC=C(C=C1)SCC2CN=C(O2)N
InChI
InChI=1S/C11H14N2O2S/c1-14-8-2-4-10(5-3-8)16-7-9-6-13-11(12)15-9/h2-5,9H,6-7H2,1H3,(H2,12,13)
InChIKey
HZTUFMXXIKGMQU-UHFFFAOYSA-N
Compound name
5-[(4-methoxyphenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0776 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.084876 151.0
[M+Na]+ 261.066818 159.4
[M-H]- 237.070324 157.1
[M+NH4]+ 256.111423 168.2
[M+K]+ 277.040758 157.1
[M+H-H2O]+ 221.074860 144.0
[M+HCOO]- 283.075801 169.5
[M+CH3COO]- 297.091451 190.1
[M+Na-2H]- 259.052266 152.9
[M]+ 238.07705142 153.8
[M]- 238.07814858 153.8
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.