CID 366772

Nsc635545

Structural Information

Molecular Formula
C24H26Cl2N2O5
SMILES
CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C(CC(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)OC
InChI
InChI=1S/C24H26Cl2N2O5/c1-5-14-7-6-8-16(13(2)3)21(14)28-23(31)22(30)17(24(32)33-4)12-20(29)27-15-9-10-18(25)19(26)11-15/h6-11,13,17H,5,12H2,1-4H3,(H,27,29)(H,28,31)
InChIKey
CVXATYQXHDGXNY-UHFFFAOYSA-N
Compound name
methyl 2-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-(2-ethyl-6-propan-2-ylanilino)-3,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.1219 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.12918 211.7
[M+Na]+ 515.11112 216.3
[M-H]- 491.11462 217.7
[M+NH4]+ 510.15572 219.8
[M+K]+ 531.08506 212.1
[M+H-H2O]+ 475.11916 205.2
[M+HCOO]- 537.12010 221.7
[M+CH3COO]- 551.13575 244.4
[M+Na-2H]- 513.09657 205.5
[M]+ 492.12135 219.4
[M]- 492.12245 219.4
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.