CID 1281445

421580-71-4

Structural Information

Molecular Formula
C25H28ClNO5
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=C(O2)C3=CC=C(C=C3)Cl)C(=O)OC(C)C
InChI
InChI=1S/C25H28ClNO5/c1-13(2)30-24(28)21-15(5)27-16(6)22(25(29)31-14(3)4)23(21)20-12-11-19(32-20)17-7-9-18(26)10-8-17/h7-14,23,27H,1-6H3
InChIKey
RAMATKGIIGKGKI-UHFFFAOYSA-N
Compound name
dipropan-2-yl 4-[5-(4-chlorophenyl)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

457.1656 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.17288 209.2
[M+Na]+ 480.15482 215.8
[M-H]- 456.15832 217.6
[M+NH4]+ 475.19942 217.4
[M+K]+ 496.12876 212.3
[M+H-H2O]+ 440.16286 201.4
[M+HCOO]- 502.16380 219.7
[M+CH3COO]- 516.17945 233.2
[M+Na-2H]- 478.14027 201.9
[M]+ 457.16505 216.3
[M]- 457.16615 216.3
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

patents stripe