CID 2873820

324577-10-8

Structural Information

Molecular Formula
C25H27Cl2NO5
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl)C(=O)OC(C)C
InChI
InChI=1S/C25H27Cl2NO5/c1-12(2)31-24(29)21-14(5)28-15(6)22(25(30)32-13(3)4)23(21)20-10-9-19(33-20)17-11-16(26)7-8-18(17)27/h7-13,23,28H,1-6H3
InChIKey
QUOZSRCZSYDDDY-UHFFFAOYSA-N
Compound name
dipropan-2-yl 4-[5-(2,5-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

491.12662 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.13390 213.1
[M+Na]+ 514.11584 221.0
[M-H]- 490.11934 221.3
[M+NH4]+ 509.16044 220.9
[M+K]+ 530.08978 216.5
[M+H-H2O]+ 474.12388 206.2
[M+HCOO]- 536.12482 218.8
[M+CH3COO]- 550.14047 238.1
[M+Na-2H]- 512.10129 204.8
[M]+ 491.12607 222.1
[M]- 491.12717 222.1
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.