CID 366774

Nsc635547

Structural Information

Molecular Formula
C23H26N2O5
SMILES
CC1=CC=C(C=C1)NC(=O)CC(C(=O)C(=O)NC2=CC=CC=C2C(C)C)C(=O)OC
InChI
InChI=1S/C23H26N2O5/c1-14(2)17-7-5-6-8-19(17)25-22(28)21(27)18(23(29)30-4)13-20(26)24-16-11-9-15(3)10-12-16/h5-12,14,18H,13H2,1-4H3,(H,24,26)(H,25,28)
InChIKey
LIWDZMHYWVWDLL-UHFFFAOYSA-N
Compound name
methyl 2-[2-(4-methylanilino)-2-oxoethyl]-3,4-dioxo-4-(2-propan-2-ylanilino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.18417 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19145 199.6
[M+Na]+ 433.17339 201.2
[M-H]- 409.17689 205.3
[M+NH4]+ 428.21799 208.4
[M+K]+ 449.14733 200.0
[M+H-H2O]+ 393.18143 190.3
[M+HCOO]- 455.18237 218.7
[M+CH3COO]- 469.19802 232.1
[M+Na-2H]- 431.15884 195.5
[M]+ 410.18362 201.5
[M]- 410.18472 201.5
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.