CID 939981

93744-72-0

Structural Information

Molecular Formula
C7H10N4OS
SMILES
CC1=CC(=NC(=N1)NC(=S)N)OC
InChI
InChI=1S/C7H10N4OS/c1-4-3-5(12-2)10-7(9-4)11-6(8)13/h3H,1-2H3,(H3,8,9,10,11,13)
InChIKey
QZKUAGTZVSTUDG-UHFFFAOYSA-N
Compound name
(4-methoxy-6-methylpyrimidin-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

198.05753 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06481 140.7
[M+Na]+ 221.04675 149.4
[M-H]- 197.05025 141.9
[M+NH4]+ 216.09135 157.4
[M+K]+ 237.02069 146.2
[M+H-H2O]+ 181.05479 133.4
[M+HCOO]- 243.05573 158.7
[M+CH3COO]- 257.07138 187.3
[M+Na-2H]- 219.03220 143.9
[M]+ 198.05698 141.2
[M]- 198.05808 141.2
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