CID 985408

Dimethyl 4-[4-(benzyloxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Structural Information

Molecular Formula
C24H25NO5
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C24H25NO5/c1-15-20(23(26)28-3)22(21(16(2)25-15)24(27)29-4)18-10-12-19(13-11-18)30-14-17-8-6-5-7-9-17/h5-13,22,25H,14H2,1-4H3
InChIKey
APWYDWRFWROZIT-UHFFFAOYSA-N
Compound name
dimethyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.17328 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.18056 198.5
[M+Na]+ 430.16250 204.4
[M-H]- 406.16600 205.5
[M+NH4]+ 425.20710 206.8
[M+K]+ 446.13644 200.4
[M+H-H2O]+ 390.17054 187.9
[M+HCOO]- 452.17148 215.7
[M+CH3COO]- 466.18713 223.7
[M+Na-2H]- 428.14795 196.6
[M]+ 407.17273 201.8
[M]- 407.17383 201.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.