CID 505623

Isopropyl 4-((3,4-dichlorobenzyl){4-[(dimethylamino)carbonyl]phenyl}amino)-2,4-dioxobutanoate

Structural Information

Molecular Formula
C23H24Cl2N2O5
SMILES
CC(C)OC(=O)C(=O)CC(=O)N(CC1=CC(=C(C=C1)Cl)Cl)C2=CC=C(C=C2)C(=O)N(C)C
InChI
InChI=1S/C23H24Cl2N2O5/c1-14(2)32-23(31)20(28)12-21(29)27(13-15-5-10-18(24)19(25)11-15)17-8-6-16(7-9-17)22(30)26(3)4/h5-11,14H,12-13H2,1-4H3
InChIKey
MOKWCOGVYIOFER-UHFFFAOYSA-N
Compound name
propan-2-yl 4-[N-[(3,4-dichlorophenyl)methyl]-4-(dimethylcarbamoyl)anilino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.10623 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.11351 206.4
[M+Na]+ 501.09545 211.2
[M-H]- 477.09895 215.1
[M+NH4]+ 496.14005 216.1
[M+K]+ 517.06939 209.1
[M+H-H2O]+ 461.10349 199.5
[M+HCOO]- 523.10443 218.8
[M+CH3COO]- 537.12008 245.4
[M+Na-2H]- 499.08090 201.3
[M]+ 478.10568 216.6
[M]- 478.10678 216.6
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.