CID 504960

Butanediamide, n4-[(3,4-dichlorophenyl)methyl]-n4-[4-[(dimethylamino)carbonyl]phenyl]-n1,n1-bis(1-methylethyl)-2-oxo-

Structural Information

Molecular Formula
C26H31Cl2N3O4
SMILES
CC(C)N(C(C)C)C(=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/C26H31Cl2N3O4/c1-16(2)31(17(3)4)26(35)23(32)14-24(33)30(15-18-7-12-21(27)22(28)13-18)20-10-8-19(9-11-20)25(34)29(5)6/h7-13,16-17H,14-15H2,1-6H3
InChIKey
OBXMUAFUZVAVDV-UHFFFAOYSA-N
Compound name
N'-[(3,4-dichlorophenyl)methyl]-N'-[4-(dimethylcarbamoyl)phenyl]-2-oxo-N,N-di(propan-2-yl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.1692 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.17648 220.9
[M+Na]+ 542.15842 223.7
[M-H]- 518.16192 230.3
[M+NH4]+ 537.20302 229.2
[M+K]+ 558.13236 222.4
[M+H-H2O]+ 502.16646 213.6
[M+HCOO]- 564.16740 232.7
[M+CH3COO]- 578.18305 260.7
[M+Na-2H]- 540.14387 212.9
[M]+ 519.16865 230.9
[M]- 519.16975 230.9
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.