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]+ 365.149576 186.0
[M+Na]+ 387.131518 191.1
[M-H]- 363.135024 194.4
[M+NH4]+ 382.176123 197.7
[M+K]+ 403.105458 187.4
[M+H-H2O]+ 347.139560 175.9
[M+HCOO]- 409.140501 209.0
[M+CH3COO]- 423.156151 215.6
[M+Na-2H]- 385.116966 187.1
[M]+ 364.14175142 189.0
[M]- 364.14284858 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.