CID 505720

1,1,2,2-tetramethylpropyl 4-[4-carbamoyl-n-[(3,4-dichlorophenyl)methyl]-3-methoxy-anilino]-2,4-dioxo-butanoate

Structural Information

Molecular Formula
C26H30Cl2N2O6
SMILES
CC(C)(C)C(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC(=C(C=C1)Cl)Cl)C2=CC(=C(C=C2)C(=O)N)OC
InChI
InChI=1S/C26H30Cl2N2O6/c1-25(2,3)26(4,5)36-24(34)20(31)13-22(32)30(14-15-7-10-18(27)19(28)11-15)16-8-9-17(23(29)33)21(12-16)35-6/h7-12H,13-14H2,1-6H3,(H2,29,33)
InChIKey
QNRMGVYESCEBCV-UHFFFAOYSA-N
Compound name
2,3,3-trimethylbutan-2-yl 4-[4-carbamoyl-N-[(3,4-dichlorophenyl)methyl]-3-methoxyanilino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.1481 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.15538 219.7
[M+Na]+ 559.13732 224.4
[M-H]- 535.14082 226.9
[M+NH4]+ 554.18192 226.6
[M+K]+ 575.11126 222.1
[M+H-H2O]+ 519.14536 213.4
[M+HCOO]- 581.14630 228.0
[M+CH3COO]- 595.16195 253.6
[M+Na-2H]- 557.12277 216.2
[M]+ 536.14755 229.8
[M]- 536.14865 229.8
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.