CID 3054598

71455-85-1

Structural Information

Molecular Formula
C19H19ClN2O5
SMILES
COC1=CC=C(C=C1)N(CC(=O)NCCC(=O)O)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H19ClN2O5/c1-27-16-8-6-15(7-9-16)22(12-17(23)21-11-10-18(24)25)19(26)13-2-4-14(20)5-3-13/h2-9H,10-12H2,1H3,(H,21,23)(H,24,25)
InChIKey
OSKGXJQNXSNBDK-UHFFFAOYSA-N
Compound name
3-[[2-(N-(4-chlorobenzoyl)-4-methoxyanilino)acetyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

390.09824 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.10552 188.5
[M+Na]+ 413.08746 193.0
[M-H]- 389.09096 194.8
[M+NH4]+ 408.13206 199.4
[M+K]+ 429.06140 190.0
[M+H-H2O]+ 373.09550 180.4
[M+HCOO]- 435.09644 206.4
[M+CH3COO]- 449.11209 223.3
[M+Na-2H]- 411.07291 188.4
[M]+ 390.09769 193.6
[M]- 390.09879 193.6
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