CID 3038172

Uracil, 1,3-dimethyl-5-(ethylthiourea)-

Structural Information

Molecular Formula
C9H14N4O2S
SMILES
CCNC(=S)NC1=CC(=O)N(C(=O)N1C)C
InChI
InChI=1S/C9H14N4O2S/c1-4-10-8(16)11-6-5-7(14)13(3)9(15)12(6)2/h5H,4H2,1-3H3,(H2,10,11,16)
InChIKey
YWEHYAWWMITAGN-UHFFFAOYSA-N
Compound name
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

242.08374 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.091016 151.9
[M+Na]+ 265.072958 161.8
[M-H]- 241.076464 154.1
[M+NH4]+ 260.117563 167.6
[M+K]+ 281.046898 157.7
[M+H-H2O]+ 225.081000 144.6
[M+HCOO]- 287.081941 170.3
[M+CH3COO]- 301.097591 196.4
[M+Na-2H]- 263.058406 153.7
[M]+ 242.08319142 154.8
[M]- 242.08428858 154.8
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