CID 111728

68901-16-6

Structural Information

Molecular Formula
C12H14N4OS
SMILES
CN1C=CN=C1SCNC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C12H14N4OS/c1-16-8-7-13-12(16)18-9-14-11(17)15-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,14,15,17)
InChIKey
QXCZFWVPQNGGCS-UHFFFAOYSA-N
Compound name
1-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.08884 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09612 158.0
[M+Na]+ 285.07806 168.3
[M+NH4]+ 280.12266 165.3
[M+K]+ 301.05200 162.2
[M-H]- 261.08156 161.3
[M+Na-2H]- 283.06351 165.0
[M]+ 262.08829 160.6
[M]- 262.08939 160.6
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.