CID 3069482

84761-71-7

Structural Information

Molecular Formula
C18H19F2NO5
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)OC(F)F)C(=O)OC
InChI
InChI=1S/C18H19F2NO5/c1-9-13(16(22)24-3)15(14(10(2)21-9)17(23)25-4)11-5-7-12(8-6-11)26-18(19)20/h5-8,15,18,21H,1-4H3
InChIKey
FXAPKJSBQQAVQY-UHFFFAOYSA-N
Compound name
dimethyl 4-[4-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

367.12314 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.13042 181.7
[M+Na]+ 390.11236 189.1
[M-H]- 366.11586 183.4
[M+NH4]+ 385.15696 192.2
[M+K]+ 406.08630 186.3
[M+H-H2O]+ 350.12040 171.6
[M+HCOO]- 412.12134 196.6
[M+CH3COO]- 426.13699 216.1
[M+Na-2H]- 388.09781 178.2
[M]+ 367.12259 183.0
[M]- 367.12369 183.0
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

patents stripe