CID 42976

59180-53-9

Structural Information

Molecular Formula
C21H23Cl2N3O3
SMILES
CC(C)NCC(=O)NCC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C21H23Cl2N3O3/c1-13(2)24-11-19(27)25-12-20(28)26(3)18-9-8-14(22)10-16(18)21(29)15-6-4-5-7-17(15)23/h4-10,13,24H,11-12H2,1-3H3,(H,25,27)
InChIKey
RNMFKCFHCHAVIV-UHFFFAOYSA-N
Compound name
N-[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl]-2-(propan-2-ylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

435.11163 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.11891 202.4
[M+Na]+ 458.10085 207.1
[M-H]- 434.10435 209.5
[M+NH4]+ 453.14545 213.0
[M+K]+ 474.07479 202.6
[M+H-H2O]+ 418.10889 195.3
[M+HCOO]- 480.10983 216.0
[M+CH3COO]- 494.12548 238.1
[M+Na-2H]- 456.08630 199.5
[M]+ 435.11108 208.1
[M]- 435.11218 208.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.