CID 3069793

Glycine, n-((p-(1-pyrrolyl)phenyl)acetyl)-

Structural Information

Molecular Formula
C14H14N2O3
SMILES
C1=CN(C=C1)C2=CC=C(C=C2)CC(=O)NCC(=O)O
InChI
InChI=1S/C14H14N2O3/c17-13(15-10-14(18)19)9-11-3-5-12(6-4-11)16-7-1-2-8-16/h1-8H,9-10H2,(H,15,17)(H,18,19)
InChIKey
USEDJVCOLREZKO-UHFFFAOYSA-N
Compound name
2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10043 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 158.0
[M+Na]+ 281.08965 163.8
[M-H]- 257.09315 162.1
[M+NH4]+ 276.13425 173.7
[M+K]+ 297.06359 160.6
[M+H-H2O]+ 241.09769 150.0
[M+HCOO]- 303.09863 180.4
[M+CH3COO]- 317.11428 193.6
[M+Na-2H]- 279.07510 160.5
[M]+ 258.09988 157.6
[M]- 258.10098 157.6
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

No patent data available for this compound.