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]+ 266.041636 154.4
[M+Na]+ 288.023578 161.8
[M-H]- 264.027084 159.7
[M+NH4]+ 283.068183 171.5
[M+K]+ 303.997518 156.4
[M+H-H2O]+ 248.031620 147.0
[M+HCOO]- 310.032561 170.0
[M+CH3COO]- 324.048211 165.9
[M+Na-2H]- 286.009026 156.9
[M]+ 265.03381142 155.6
[M]- 265.03490858 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.