CID 5768124

505079-88-9

Structural Information

Molecular Formula
C24H29N3O4
SMILES
CC1=C(C=CC(=C1)OC(C)C)/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CN=CC=C3)/O
InChI
InChI=1S/C24H29N3O4/c1-15(2)31-18-8-9-19(16(3)13-18)22(28)20-21(17-7-6-10-25-14-17)27(12-11-26(4)5)24(30)23(20)29/h6-10,13-15,21,28H,11-12H2,1-5H3/b22-20+
InChIKey
NBXNMMXSPVUWAX-LSDHQDQOSA-N
Compound name
(4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(2-methyl-4-propan-2-yloxyphenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.21582 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.22310 203.9
[M+Na]+ 446.20504 214.3
[M+NH4]+ 441.24964 207.9
[M+K]+ 462.17898 211.3
[M-H]- 422.20854 206.8
[M+Na-2H]- 444.19049 207.9
[M]+ 423.21527 205.8
[M]- 423.21637 205.8
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.