CID 367769

Nsc637708

Structural Information

Molecular Formula
C26H29NO5
SMILES
CCOC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2O)C(=O)OCC)C)CC3=CC=CC=C3)C
InChI
InChI=1S/C26H29NO5/c1-5-31-25(29)22-17(3)27(16-19-12-8-7-9-13-19)18(4)23(26(30)32-6-2)24(22)20-14-10-11-15-21(20)28/h7-15,24,28H,5-6,16H2,1-4H3
InChIKey
UTHMPSYIYGYNOS-UHFFFAOYSA-N
Compound name
diethyl 1-benzyl-4-(2-hydroxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.20456 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.21184 207.2
[M+Na]+ 458.19378 213.0
[M-H]- 434.19728 214.2
[M+NH4]+ 453.23838 214.6
[M+K]+ 474.16772 208.8
[M+H-H2O]+ 418.20182 196.4
[M+HCOO]- 480.20276 223.6
[M+CH3COO]- 494.21841 230.8
[M+Na-2H]- 456.17923 203.6
[M]+ 435.20401 211.5
[M]- 435.20511 211.5
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.