CID 3066561

Brn 5642929

Structural Information

Molecular Formula
C22H27F2NO5
SMILES
CCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OC(F)F)C(=O)OCCC)C)C
InChI
InChI=1S/C22H27F2NO5/c1-5-11-28-20(26)17-13(3)25-14(4)18(21(27)29-12-6-2)19(17)15-9-7-8-10-16(15)30-22(23)24/h7-10,19,22,25H,5-6,11-12H2,1-4H3
InChIKey
RCXUUSMLFWKGOZ-UHFFFAOYSA-N
Compound name
dipropyl 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.18573 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.19301 200.2
[M+Na]+ 446.17495 205.7
[M-H]- 422.17845 201.1
[M+NH4]+ 441.21955 208.3
[M+K]+ 462.14889 202.1
[M+H-H2O]+ 406.18299 189.3
[M+HCOO]- 468.18393 213.7
[M+CH3COO]- 482.19958 227.8
[M+Na-2H]- 444.16040 194.6
[M]+ 423.18518 202.8
[M]- 423.18628 202.8
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.