CID 4615415

312938-38-8

Structural Information

Molecular Formula
C25H27Cl2NO7
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCCOC)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl)C(=O)OCCOC
InChI
InChI=1S/C25H27Cl2NO7/c1-14-21(24(29)33-11-9-31-3)23(22(15(2)28-14)25(30)34-12-10-32-4)20-8-7-19(35-20)17-6-5-16(26)13-18(17)27/h5-8,13,23,28H,9-12H2,1-4H3
InChIKey
UGOIWTXMBPABLA-UHFFFAOYSA-N
Compound name
bis(2-methoxyethyl) 4-[5-(2,4-dichlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.11646 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.12374 220.4
[M+Na]+ 546.10568 233.4
[M+NH4]+ 541.15028 224.3
[M+K]+ 562.07962 229.1
[M-H]- 522.10918 223.8
[M+Na-2H]- 544.09113 223.5
[M]+ 523.11591 223.7
[M]- 523.11701 223.7
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.