CID 3087504

Brn 5632675

Structural Information

Molecular Formula
C19H24F2N2O4
SMILES
CC1=C(C(NC(=O)N1C)C2=CC=CC=C2OC(F)F)C(=O)OCCC(C)C
InChI
InChI=1S/C19H24F2N2O4/c1-11(2)9-10-26-17(24)15-12(3)23(4)19(25)22-16(15)13-7-5-6-8-14(13)27-18(20)21/h5-8,11,16,18H,9-10H2,1-4H3,(H,22,25)
InChIKey
GEDMPZWZRZRIKR-UHFFFAOYSA-N
Compound name
3-methylbutyl 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

382.1704 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17768 189.2
[M+Na]+ 405.15962 195.3
[M-H]- 381.16312 189.0
[M+NH4]+ 400.20422 197.7
[M+K]+ 421.13356 191.4
[M+H-H2O]+ 365.16766 178.4
[M+HCOO]- 427.16860 200.9
[M+CH3COO]- 441.18425 220.6
[M+Na-2H]- 403.14507 184.3
[M]+ 382.16985 188.6
[M]- 382.17095 188.6
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.