CID 20362893

64952-42-7

Structural Information

Molecular Formula
C13H15Cl2N3O4
SMILES
CC(C)NC(=O)N(CC(=O)O)C(=O)NC1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C13H15Cl2N3O4/c1-7(2)16-12(21)18(6-11(19)20)13(22)17-10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,21)(H,17,22)(H,19,20)
InChIKey
UEDJUPKFFDUWHX-UHFFFAOYSA-N
Compound name
2-[(3,5-dichlorophenyl)carbamoyl-(propan-2-ylcarbamoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1
Patents

347.04398 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.05126 175.1
[M+Na]+ 370.03320 180.8
[M-H]- 346.03670 178.5
[M+NH4]+ 365.07780 188.8
[M+K]+ 386.00714 177.9
[M+H-H2O]+ 330.04124 170.3
[M+HCOO]- 392.04218 188.8
[M+CH3COO]- 406.05783 216.5
[M+Na-2H]- 368.01865 173.8
[M]+ 347.04343 178.9
[M]- 347.04453 178.9
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

patents stripe