CID 6244059

(e)-(4-butoxy-3-methylphenyl)-[1-[2-(diethylazaniumyl)ethyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate

Structural Information

Molecular Formula
C30H40N2O6
SMILES
CCCCOC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCN(CC)CC)C3=CC(=C(C=C3)OC)OC)/O)C
InChI
InChI=1S/C30H40N2O6/c1-7-10-17-38-23-13-12-22(18-20(23)4)28(33)26-27(21-11-14-24(36-5)25(19-21)37-6)32(30(35)29(26)34)16-15-31(8-2)9-3/h11-14,18-19,27,33H,7-10,15-17H2,1-6H3/b28-26+
InChIKey
SOQASOXRGFGLHO-BYCLXTJYSA-N
Compound name
(4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[2-(diethylamino)ethyl]-5-(3,4-dimethoxyphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.28864 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.29592 230.3
[M+Na]+ 547.27786 234.2
[M-H]- 523.28136 238.3
[M+NH4]+ 542.32246 236.4
[M+K]+ 563.25180 230.6
[M+H-H2O]+ 507.28590 220.0
[M+HCOO]- 569.28684 247.5
[M+CH3COO]- 583.30249 254.7
[M+Na-2H]- 545.26331 221.5
[M]+ 524.28809 238.2
[M]- 524.28919 238.2
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.