CID 5734383

609797-18-4

Structural Information

Molecular Formula
C23H26N2O5
SMILES
CC1=C(C=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCOC)C3=CN=CC=C3)/O)OC(C)C
InChI
InChI=1S/C23H26N2O5/c1-14(2)30-18-8-7-16(12-15(18)3)21(26)19-20(17-6-5-9-24-13-17)25(10-11-29-4)23(28)22(19)27/h5-9,12-14,20,26H,10-11H2,1-4H3/b21-19+
InChIKey
IWCWRMQMOUYACH-XUTLUUPISA-N
Compound name
(4E)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-(2-methoxyethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.18417 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19145 198.2
[M+Na]+ 433.17339 204.4
[M-H]- 409.17689 204.4
[M+NH4]+ 428.21799 207.1
[M+K]+ 449.14733 200.1
[M+H-H2O]+ 393.18143 188.6
[M+HCOO]- 455.18237 214.0
[M+CH3COO]- 469.19802 224.8
[M+Na-2H]- 431.15884 192.9
[M]+ 410.18362 201.0
[M]- 410.18472 201.0
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.