CID 366760

Nsc635533

Structural Information

Molecular Formula
C26H32N2O5
SMILES
CC1=CC=C(C=C1)NC(=O)CC(C(=O)C(=O)NC2=C(C=CC=C2C(C)C)C(C)C)C(=O)OC
InChI
InChI=1S/C26H32N2O5/c1-15(2)19-8-7-9-20(16(3)4)23(19)28-25(31)24(30)21(26(32)33-6)14-22(29)27-18-12-10-17(5)11-13-18/h7-13,15-16,21H,14H2,1-6H3,(H,27,29)(H,28,31)
InChIKey
AIVPBQFJQLZJJC-UHFFFAOYSA-N
Compound name
methyl 4-[2,6-di(propan-2-yl)anilino]-2-[2-(4-methylanilino)-2-oxoethyl]-3,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.2311 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.23838 211.7
[M+Na]+ 475.22032 212.7
[M-H]- 451.22382 217.3
[M+NH4]+ 470.26492 219.1
[M+K]+ 491.19426 211.7
[M+H-H2O]+ 435.22836 202.5
[M+HCOO]- 497.22930 228.8
[M+CH3COO]- 511.24495 243.1
[M+Na-2H]- 473.20577 204.4
[M]+ 452.23055 214.6
[M]- 452.23165 214.6
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.