CID 71650841

1-(3-methoxy-4-(4-methyl-1h-imidazol-1-yl)phenyl)thiourea

Structural Information

Molecular Formula
C12H14N4OS
SMILES
CC1=CN(C=N1)C2=C(C=C(C=C2)NC(=S)N)OC
InChI
InChI=1S/C12H14N4OS/c1-8-6-16(7-14-8)10-4-3-9(15-12(13)18)5-11(10)17-2/h3-7H,1-2H3,(H3,13,15,18)
InChIKey
DBBHFNSGUAJVTQ-UHFFFAOYSA-N
Compound name
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

262.08884 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09612 158.9
[M+Na]+ 285.07806 169.7
[M+NH4]+ 280.12266 166.0
[M+K]+ 301.05200 164.1
[M-H]- 261.08156 162.1
[M+Na-2H]- 283.06351 164.9
[M]+ 262.08829 161.6
[M]- 262.08939 161.6
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

patents stripe