CID 135446244

Chembl386515

Structural Information

Molecular Formula
C17H21FN4O3
SMILES
CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCC2=CC=C(C=C2)F)N(C)C
InChI
InChI=1S/C17H21FN4O3/c1-17(2,22(3)4)16-20-12(13(23)15(25)21-16)14(24)19-9-10-5-7-11(18)8-6-10/h5-8,23H,9H2,1-4H3,(H,19,24)(H,20,21,25)
InChIKey
IQEPRBDBRZZHBI-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

10
Patents

348.15976 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16704 181.9
[M+Na]+ 371.14898 188.8
[M-H]- 347.15248 184.0
[M+NH4]+ 366.19358 191.2
[M+K]+ 387.12292 184.8
[M+H-H2O]+ 331.15702 172.0
[M+HCOO]- 393.15796 199.4
[M+CH3COO]- 407.17361 217.9
[M+Na-2H]- 369.13443 184.1
[M]+ 348.15921 181.3
[M]- 348.16031 181.3
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.