CID 71650841

1077628-67-1

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

51
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 158.4
[M+Na]+ 285.07806 167.3
[M-H]- 261.08156 163.1
[M+NH4]+ 280.12266 174.4
[M+K]+ 301.05200 162.7
[M+H-H2O]+ 245.08610 150.4
[M+HCOO]- 307.08704 177.3
[M+CH3COO]- 321.10269 199.1
[M+Na-2H]- 283.06351 158.8
[M]+ 262.08829 159.8
[M]- 262.08939 159.8
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