CID 3850672

488826-58-0

Structural Information

Molecular Formula
C29H38N2O4
SMILES
CCN(CC)CCN1C(C(=C(C2=C(C=C(C=C2)OC)C)O)C(=O)C1=O)C3=CC=C(C=C3)C(C)(C)C
InChI
InChI=1S/C29H38N2O4/c1-8-30(9-2)16-17-31-25(20-10-12-21(13-11-20)29(4,5)6)24(27(33)28(31)34)26(32)23-15-14-22(35-7)18-19(23)3/h10-15,18,25,32H,8-9,16-17H2,1-7H3
InChIKey
JSMRTIIVKGUKOA-UHFFFAOYSA-N
Compound name
5-(4-tert-butylphenyl)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.28317 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.29045 220.4
[M+Na]+ 501.27239 224.9
[M-H]- 477.27589 228.7
[M+NH4]+ 496.31699 228.7
[M+K]+ 517.24633 220.6
[M+H-H2O]+ 461.28043 211.3
[M+HCOO]- 523.28137 236.2
[M+CH3COO]- 537.29702 246.0
[M+Na-2H]- 499.25784 213.6
[M]+ 478.28262 224.3
[M]- 478.28372 224.3
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.