CID 3054597

N-(n-(p-chlorobenzoyl)-2-(p-anisidino)acetyl)glycine

Structural Information

Molecular Formula
C18H17ClN2O5
SMILES
COC1=CC=C(C=C1)N(CC(=O)NCC(=O)O)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H17ClN2O5/c1-26-15-8-6-14(7-9-15)21(11-16(22)20-10-17(23)24)18(25)12-2-4-13(19)5-3-12/h2-9H,10-11H2,1H3,(H,20,22)(H,23,24)
InChIKey
PYJZYZJMEMJTDG-UHFFFAOYSA-N
Compound name
2-[[2-(N-(4-chlorobenzoyl)-4-methoxyanilino)acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

376.0826 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.08988 184.1
[M+Na]+ 399.07182 194.5
[M+NH4]+ 394.11642 189.0
[M+K]+ 415.04576 189.9
[M-H]- 375.07532 186.5
[M+Na-2H]- 397.05727 189.8
[M]+ 376.08205 186.1
[M]- 376.08315 186.1
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

patents stripe