CID 5768427

510712-22-8

Structural Information

Molecular Formula
C27H33N3O5
SMILES
CC1=C(C=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CN=CC=C4)/O)OC(C)C
InChI
InChI=1S/C27H33N3O5/c1-18(2)35-22-8-7-20(16-19(22)3)25(31)23-24(21-6-4-9-28-17-21)30(27(33)26(23)32)11-5-10-29-12-14-34-15-13-29/h4,6-9,16-18,24,31H,5,10-15H2,1-3H3/b25-23+
InChIKey
ZCMDZRKGOGOHAH-WJTDDFOZSA-N
Compound name
(4E)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.24203 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.24931 218.9
[M+Na]+ 502.23125 221.5
[M-H]- 478.23475 225.9
[M+NH4]+ 497.27585 221.1
[M+K]+ 518.20519 217.1
[M+H-H2O]+ 462.23929 207.0
[M+HCOO]- 524.24023 227.8
[M+CH3COO]- 538.25588 237.0
[M+Na-2H]- 500.21670 211.0
[M]+ 479.24148 217.0
[M]- 479.24258 217.0
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.