CID 3034561

24885-87-8

Structural Information

Molecular Formula
C11H11N3OS2
SMILES
C1=CC=C(C=C1)NC(=S)NOCC2=CSC=N2
InChI
InChI=1S/C11H11N3OS2/c16-11(13-9-4-2-1-3-5-9)14-15-6-10-7-17-8-12-10/h1-5,7-8H,6H2,(H2,13,14,16)
InChIKey
XAPMQMMTOAQZGE-UHFFFAOYSA-N
Compound name
1-phenyl-3-(1,3-thiazol-4-ylmethoxy)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.03436 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04164 154.4
[M+Na]+ 288.02358 161.8
[M-H]- 264.02708 159.7
[M+NH4]+ 283.06818 171.5
[M+K]+ 303.99752 156.4
[M+H-H2O]+ 248.03162 147.0
[M+HCOO]- 310.03256 170.0
[M+CH3COO]- 324.04821 165.9
[M+Na-2H]- 286.00903 156.9
[M]+ 265.03381 155.6
[M]- 265.03491 155.6
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.