CID 3041134

Uracil, 3-cyclohexyl-5-((dimethylamino)methyl)-1-methyl-, monohydrochloride

Structural Information

Molecular Formula
C14H23N3O2
SMILES
CN1C=C(C(=O)N(C1=O)C2CCCCC2)CN(C)C
InChI
InChI=1S/C14H23N3O2/c1-15(2)9-11-10-16(3)14(19)17(13(11)18)12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3
InChIKey
BOMGWTZACDTVBP-UHFFFAOYSA-N
Compound name
3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.17902 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.18630 161.6
[M+Na]+ 288.16824 168.6
[M-H]- 264.17174 166.8
[M+NH4]+ 283.21284 176.1
[M+K]+ 304.14218 166.2
[M+H-H2O]+ 248.17628 152.4
[M+HCOO]- 310.17722 181.3
[M+CH3COO]- 324.19287 204.1
[M+Na-2H]- 286.15369 163.6
[M]+ 265.17847 161.0
[M]- 265.17957 161.0
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.