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

6
Patents

390.09824 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.105516 188.0
[M+Na]+ 413.087458 192.7
[M-H]- 389.090964 195.8
[M+NH4]+ 408.132063 199.6
[M+K]+ 429.061398 191.1
[M+H-H2O]+ 373.095500 179.9
[M+HCOO]- 435.096441 206.5
[M+CH3COO]- 449.112091 226.5
[M+Na-2H]- 411.072906 187.3
[M]+ 390.09769142 194.4
[M]- 390.09878858 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