CID 3054596

71455-83-9

Structural Information

Molecular Formula
C19H19ClN2O5
SMILES
CN(CC(=O)O)C(=O)CN(C1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H19ClN2O5/c1-21(12-18(24)25)17(23)11-22(15-7-9-16(27-2)10-8-15)19(26)13-3-5-14(20)6-4-13/h3-10H,11-12H2,1-2H3,(H,24,25)
InChIKey
OCCCHHSSTSPVRC-UHFFFAOYSA-N
Compound name
2-[[2-(N-(4-chlorobenzoyl)-4-methoxyanilino)acetyl]-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

390.09824 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.10552 188.0
[M+Na]+ 413.08746 192.7
[M-H]- 389.09096 195.8
[M+NH4]+ 408.13206 199.6
[M+K]+ 429.06140 191.1
[M+H-H2O]+ 373.09550 179.9
[M+HCOO]- 435.09644 206.5
[M+CH3COO]- 449.11209 226.5
[M+Na-2H]- 411.07291 187.3
[M]+ 390.09769 194.4
[M]- 390.09879 194.4
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