CID 3069795

Glycine, n-((4-(1h-pyrrol-1-yl)phenyl)acetyl)-, 2-methoxyphenyl ester

Structural Information

Molecular Formula
C21H20N2O4
SMILES
COC1=CC=CC=C1OC(=O)CNC(=O)CC2=CC=C(C=C2)N3C=CC=C3
InChI
InChI=1S/C21H20N2O4/c1-26-18-6-2-3-7-19(18)27-21(25)15-22-20(24)14-16-8-10-17(11-9-16)23-12-4-5-13-23/h2-13H,14-15H2,1H3,(H,22,24)
InChIKey
CKKAAVMVVLOZRJ-UHFFFAOYSA-N
Compound name
(2-methoxyphenyl) 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1423 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.14958 186.0
[M+Na]+ 387.13152 191.1
[M-H]- 363.13502 194.4
[M+NH4]+ 382.17612 197.7
[M+K]+ 403.10546 187.4
[M+H-H2O]+ 347.13956 175.9
[M+HCOO]- 409.14050 209.0
[M+CH3COO]- 423.15615 215.6
[M+Na-2H]- 385.11697 187.1
[M]+ 364.14175 189.0
[M]- 364.14285 189.0
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

No patent data available for this compound.