CID 3039353

50510-11-7

Structural Information

Molecular Formula
C10H11ClN2OS
SMILES
C1C(OC(=N1)N)CSC2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H11ClN2OS/c11-7-1-3-9(4-2-7)15-6-8-5-13-10(12)14-8/h1-4,8H,5-6H2,(H2,12,13)
InChIKey
MTENFETUMWYLRL-UHFFFAOYSA-N
Compound name
5-[(4-chlorophenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.02806 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03534 150.8
[M+Na]+ 265.01728 160.4
[M-H]- 241.02078 156.9
[M+NH4]+ 260.06188 168.7
[M+K]+ 280.99122 156.2
[M+H-H2O]+ 225.02532 144.7
[M+HCOO]- 287.02626 164.6
[M+CH3COO]- 301.04191 163.6
[M+Na-2H]- 263.00273 152.4
[M]+ 242.02751 153.6
[M]- 242.02861 153.6
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.