CID 3038169

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

Structural Information

Molecular Formula
C10H16N4O2S
SMILES
CCCNC(=S)NC1=CC(=O)N(C(=O)N1C)C
InChI
InChI=1S/C10H16N4O2S/c1-4-5-11-9(17)12-7-6-8(15)14(3)10(16)13(7)2/h6H,4-5H2,1-3H3,(H2,11,12,17)
InChIKey
QHKWTBVWKZTGFP-UHFFFAOYSA-N
Compound name
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-propylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0994 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10668 156.2
[M+Na]+ 279.08862 165.7
[M-H]- 255.09212 158.2
[M+NH4]+ 274.13322 171.3
[M+K]+ 295.06256 161.4
[M+H-H2O]+ 239.09666 148.7
[M+HCOO]- 301.09760 174.3
[M+CH3COO]- 315.11325 199.4
[M+Na-2H]- 277.07407 157.6
[M]+ 256.09885 159.5
[M]- 256.09995 159.5
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