CID 135601684

Dihydroxypyrimidine, 12

Structural Information

Molecular Formula
C15H17FN4O3
SMILES
CN(C)CC1=NC(=C(C(=O)N1)O)C(=O)NCC2=CC=C(C=C2)F
InChI
InChI=1S/C15H17FN4O3/c1-20(2)8-11-18-12(13(21)15(23)19-11)14(22)17-7-9-3-5-10(16)6-4-9/h3-6,21H,7-8H2,1-2H3,(H,17,22)(H,18,19,23)
InChIKey
QXIWCFSOBHCFPM-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6
Patents

320.12848 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13576 172.8
[M+Na]+ 343.11770 180.3
[M-H]- 319.12120 175.0
[M+NH4]+ 338.16230 183.2
[M+K]+ 359.09164 176.1
[M+H-H2O]+ 303.12574 162.6
[M+HCOO]- 365.12668 192.6
[M+CH3COO]- 379.14233 211.5
[M+Na-2H]- 341.10315 175.1
[M]+ 320.12793 172.1
[M]- 320.12903 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe