CID 505607

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

Structural Information

Molecular Formula
C24H26Cl2N2O5
SMILES
CC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC(=C(C=C1)Cl)Cl)C2=CC=CC(=C2)C(=O)N(C)C
InChI
InChI=1S/C24H26Cl2N2O5/c1-24(2,3)33-23(32)20(29)13-21(30)28(14-15-9-10-18(25)19(26)11-15)17-8-6-7-16(12-17)22(31)27(4)5/h6-12H,13-14H2,1-5H3
InChIKey
NPLNJEDURNTDRZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-[N-[(3,4-dichlorophenyl)methyl]-3-(dimethylcarbamoyl)anilino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.1219 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.12918 210.2
[M+Na]+ 515.11112 215.2
[M-H]- 491.11462 219.0
[M+NH4]+ 510.15572 219.6
[M+K]+ 531.08506 213.0
[M+H-H2O]+ 475.11916 203.4
[M+HCOO]- 537.12010 221.6
[M+CH3COO]- 551.13575 247.1
[M+Na-2H]- 513.09657 206.9
[M]+ 492.12135 220.6
[M]- 492.12245 220.6
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.