CID 86764103

Razpipadon

Structural Information

Molecular Formula
C19H17F2N3O4
SMILES
CC1=C(C=CC(=C1)OC2=C(C=CC=N2)OC(F)F)C3=C(C(=O)NC(=O)N3C)C
InChI
InChI=1S/C19H17F2N3O4/c1-10-9-12(27-17-14(28-18(20)21)5-4-8-22-17)6-7-13(10)15-11(2)16(25)23-19(26)24(15)3/h4-9,18H,1-3H3,(H,23,25,26)
InChIKey
ZXIPVZWZRQCIRW-UHFFFAOYSA-N
Compound name
6-[4-[3-(difluoromethoxy)pyridin-2-yl]oxy-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

36
Patents

389.1187 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.12598 190.0
[M+Na]+ 412.10792 201.3
[M-H]- 388.11142 193.3
[M+NH4]+ 407.15252 196.8
[M+K]+ 428.08186 194.9
[M+H-H2O]+ 372.11596 177.0
[M+HCOO]- 434.11690 205.9
[M+CH3COO]- 448.13255 220.4
[M+Na-2H]- 410.09337 189.8
[M]+ 389.11815 192.0
[M]- 389.11925 192.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe