CID 52925

74088-48-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

435.11163 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.11891 201.9
[M+Na]+ 458.10085 206.4
[M-H]- 434.10435 208.7
[M+NH4]+ 453.14545 212.2
[M+K]+ 474.07479 202.3
[M+H-H2O]+ 418.10889 195.2
[M+HCOO]- 480.10983 214.1
[M+CH3COO]- 494.12548 238.6
[M+Na-2H]- 456.08630 197.0
[M]+ 435.11108 206.2
[M]- 435.11218 206.2
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.