CID 3063340

Brn 5681731

Structural Information

Molecular Formula
C30H29F2N3O5
SMILES
CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=C(C=C2)OC)C3=CC=CC=C3OC(F)F)C(=O)NC4=CC=C(C=C4)OC
InChI
InChI=1S/C30H29F2N3O5/c1-17-25(28(36)34-19-9-13-21(38-3)14-10-19)27(23-7-5-6-8-24(23)40-30(31)32)26(18(2)33-17)29(37)35-20-11-15-22(39-4)16-12-20/h5-16,27,30,33H,1-4H3,(H,34,36)(H,35,37)
InChIKey
JJWZPKREYKNDBV-UHFFFAOYSA-N
Compound name
4-[2-(difluoromethoxy)phenyl]-3-N,5-N-bis(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.2075 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.21478 234.5
[M+Na]+ 572.19672 245.0
[M+NH4]+ 567.24132 236.6
[M+K]+ 588.17066 238.8
[M-H]- 548.20022 238.1
[M+Na-2H]- 570.18217 240.2
[M]+ 549.20695 236.5
[M]- 549.20805 236.5
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.