CID 2922004

Brn 5615528

Structural Information

Molecular Formula
C15H16F2N2O4
SMILES
CC1=C(C(NC(=O)N1C)C2=CC=CC=C2OC(F)F)C(=O)OC
InChI
InChI=1S/C15H16F2N2O4/c1-8-11(13(20)22-3)12(18-15(21)19(8)2)9-6-4-5-7-10(9)23-14(16)17/h4-7,12,14H,1-3H3,(H,18,21)
InChIKey
WOHYNWHFXZSBJO-UHFFFAOYSA-N
Compound name
methyl 6-[2-(difluoromethoxy)phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.10782 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.11510 171.9
[M+Na]+ 349.09704 180.0
[M-H]- 325.10054 172.3
[M+NH4]+ 344.14164 182.7
[M+K]+ 365.07098 176.4
[M+H-H2O]+ 309.10508 161.6
[M+HCOO]- 371.10602 185.9
[M+CH3COO]- 385.12167 207.9
[M+Na-2H]- 347.08249 170.1
[M]+ 326.10727 170.4
[M]- 326.10837 170.4
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.