CID 1352988

312937-53-4

Structural Information

Molecular Formula
C23H31NO6
SMILES
CCOC1=C(C=CC(=C1)C2C(=C(NC(=C2C(=O)OC(C)C)C)C)C(=O)OC(C)C)O
InChI
InChI=1S/C23H31NO6/c1-8-28-18-11-16(9-10-17(18)25)21-19(22(26)29-12(2)3)14(6)24-15(7)20(21)23(27)30-13(4)5/h9-13,21,24-25H,8H2,1-7H3
InChIKey
NZSVXEJUHOFENL-UHFFFAOYSA-N
Compound name
dipropan-2-yl 4-(3-ethoxy-4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.21515 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.22243 199.4
[M+Na]+ 440.20437 204.4
[M-H]- 416.20787 202.1
[M+NH4]+ 435.24897 207.4
[M+K]+ 456.17831 202.4
[M+H-H2O]+ 400.21241 191.1
[M+HCOO]- 462.21335 212.4
[M+CH3COO]- 476.22900 227.9
[M+Na-2H]- 438.18982 192.6
[M]+ 417.21460 204.1
[M]- 417.21570 204.1
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.