CID 3078437

121112-79-6

Structural Information

Molecular Formula
C19H24F2N2O4
SMILES
CCCCCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OC(F)F)C)C
InChI
InChI=1S/C19H24F2N2O4/c1-4-5-8-11-26-17(24)15-12(2)23(3)19(25)22-16(15)13-9-6-7-10-14(13)27-18(20)21/h6-7,9-10,16,18H,4-5,8,11H2,1-3H3,(H,22,25)
InChIKey
BZBUGXWTLREQLI-UHFFFAOYSA-N
Compound name
pentyl 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

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17768 190.0
[M+Na]+ 405.15962 196.3
[M-H]- 381.16312 189.6
[M+NH4]+ 400.20422 198.5
[M+K]+ 421.13356 191.8
[M+H-H2O]+ 365.16766 178.9
[M+HCOO]- 427.16860 202.6
[M+CH3COO]- 441.18425 219.6
[M+Na-2H]- 403.14507 186.1
[M]+ 382.16985 189.9
[M]- 382.17095 189.9
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.