CID 3042180

Glycinamide, n-(4-chloro-2-(2-chlorobenzoyl)phenyl)-n-methyl-l-phenylalanyl-, ethanedioate (1:1)

Structural Information

Molecular Formula
C25H23Cl2N3O3
SMILES
CN(CC(=O)NC(=O)[C@H](CC1=CC=CC=C1)N)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C25H23Cl2N3O3/c1-30(15-23(31)29-25(33)21(28)13-16-7-3-2-4-8-16)22-12-11-17(26)14-19(22)24(32)18-9-5-6-10-20(18)27/h2-12,14,21H,13,15,28H2,1H3,(H,29,31,33)/t21-/m0/s1
InChIKey
KSIDQNONEFKABW-NRFANRHFSA-N
Compound name
(2S)-2-amino-N-[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]acetyl]-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.11163 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.11891 214.3
[M+Na]+ 506.10085 218.2
[M-H]- 482.10435 223.4
[M+NH4]+ 501.14545 221.9
[M+K]+ 522.07479 212.7
[M+H-H2O]+ 466.10889 205.5
[M+HCOO]- 528.10983 227.0
[M+CH3COO]- 542.12548 245.2
[M+Na-2H]- 504.08630 211.1
[M]+ 483.11108 218.2
[M]- 483.11218 218.2
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.