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 219.7
[M+Na]+ 546.10568 227.4
[M-H]- 522.10918 227.6
[M+NH4]+ 541.15028 226.0
[M+K]+ 562.07962 223.5
[M+H-H2O]+ 506.11372 211.7
[M+HCOO]- 568.11466 227.4
[M+CH3COO]- 582.13031 240.4
[M+Na-2H]- 544.09113 213.8
[M]+ 523.11591 232.2
[M]- 523.11701 232.2
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.