CID 145874264

2375271-07-9

Structural Information

Molecular Formula
C12H15F2N3O4
SMILES
CC(C)(C)OC(=O)NCC1=NC=C(C(=N1)C(F)F)C(=O)O
InChI
InChI=1S/C12H15F2N3O4/c1-12(2,3)21-11(20)16-5-7-15-4-6(10(18)19)8(17-7)9(13)14/h4,9H,5H2,1-3H3,(H,16,20)(H,18,19)
InChIKey
ISEXOEBADAYZII-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.10306 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11034 165.6
[M+Na]+ 326.09228 172.5
[M-H]- 302.09578 163.0
[M+NH4]+ 321.13688 177.1
[M+K]+ 342.06622 170.8
[M+H-H2O]+ 286.10032 156.5
[M+HCOO]- 348.10126 180.7
[M+CH3COO]- 362.11691 203.6
[M+Na-2H]- 324.07773 167.2
[M]+ 303.10251 165.2
[M]- 303.10361 165.2
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.