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 233.5
[M+Na]+ 572.19672 237.1
[M-H]- 548.20022 240.6
[M+NH4]+ 567.24132 234.5
[M+K]+ 588.17066 232.2
[M+H-H2O]+ 532.20476 218.8
[M+HCOO]- 594.20570 248.2
[M+CH3COO]- 608.22135 256.7
[M+Na-2H]- 570.18217 228.6
[M]+ 549.20695 232.9
[M]- 549.20805 232.9
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.