CID 3063339

Brn 5622351

Structural Information

Molecular Formula
C18H18F2N2O3
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OC(F)F)C#N)C)C
InChI
InChI=1S/C18H18F2N2O3/c1-4-24-17(23)15-11(3)22-10(2)13(9-21)16(15)12-7-5-6-8-14(12)25-18(19)20/h5-8,16,18,22H,4H2,1-3H3
InChIKey
GPNSWFLKFSMYQQ-UHFFFAOYSA-N
Compound name
ethyl 5-cyano-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.12854 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13582 176.5
[M+Na]+ 371.11776 185.7
[M-H]- 347.12126 177.0
[M+NH4]+ 366.16236 186.4
[M+K]+ 387.09170 180.6
[M+H-H2O]+ 331.12580 160.3
[M+HCOO]- 393.12674 188.9
[M+CH3COO]- 407.14239 222.3
[M+Na-2H]- 369.10321 174.1
[M]+ 348.12799 170.7
[M]- 348.12909 170.7
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.