CID 504925

N-(2,4-dichloro-benzyl)-n-naphthalen-2-ylmethyl-2-oxo-succinamic acid

Structural Information

Molecular Formula
C22H17Cl2NO4
SMILES
C1=CC=C2C=C(C=CC2=C1)CN(CC3=C(C=C(C=C3)Cl)Cl)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C22H17Cl2NO4/c23-18-8-7-17(19(24)10-18)13-25(21(27)11-20(26)22(28)29)12-14-5-6-15-3-1-2-4-16(15)9-14/h1-10H,11-13H2,(H,28,29)
InChIKey
FIPJYWHRGNBPAQ-UHFFFAOYSA-N
Compound name
4-[(2,4-dichlorophenyl)methyl-(naphthalen-2-ylmethyl)amino]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.05347 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.06075 194.2
[M+Na]+ 452.04269 201.1
[M-H]- 428.04619 200.9
[M+NH4]+ 447.08729 205.7
[M+K]+ 468.01663 195.3
[M+H-H2O]+ 412.05073 187.3
[M+HCOO]- 474.05167 204.7
[M+CH3COO]- 488.06732 228.2
[M+Na-2H]- 450.02814 194.3
[M]+ 429.05292 200.7
[M]- 429.05402 200.7
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.