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 183.9
[M+Na]+ 399.07182 188.9
[M-H]- 375.07532 190.4
[M+NH4]+ 394.11642 195.4
[M+K]+ 415.04576 186.1
[M+H-H2O]+ 359.07986 176.1
[M+HCOO]- 421.08080 202.2
[M+CH3COO]- 435.09645 220.4
[M+Na-2H]- 397.05727 184.4
[M]+ 376.08205 188.7
[M]- 376.08315 188.7
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

patents stripe