CID 6480026

Chembl183249

Structural Information

Molecular Formula
C22H26N2O4
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)/C=C/C(=O)OCC)N(C)C)C
InChI
InChI=1S/C22H26N2O4/c1-6-17-14(3)23-22(27)20(24(4)5)19(17)21(26)16-10-8-9-15(13-16)11-12-18(25)28-7-2/h8-13H,6-7H2,1-5H3,(H,23,27)/b12-11+
InChIKey
YVUKOAQHZIPTTP-VAWYXSNFSA-N
Compound name
ethyl (E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.18927 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19655 191.7
[M+Na]+ 405.17849 198.5
[M-H]- 381.18199 197.4
[M+NH4]+ 400.22309 202.1
[M+K]+ 421.15243 194.6
[M+H-H2O]+ 365.18653 182.5
[M+HCOO]- 427.18747 211.6
[M+CH3COO]- 441.20312 226.2
[M+Na-2H]- 403.16394 189.2
[M]+ 382.18872 196.3
[M]- 382.18982 196.3
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.