CID 16787172

2-[2-(4-bromophenyl)acetamido]-2-phenylacetic acid

Structural Information

Molecular Formula
C16H14BrNO3
SMILES
C1=CC=C(C=C1)C(C(=O)O)NC(=O)CC2=CC=C(C=C2)Br
InChI
InChI=1S/C16H14BrNO3/c17-13-8-6-11(7-9-13)10-14(19)18-15(16(20)21)12-4-2-1-3-5-12/h1-9,15H,10H2,(H,18,19)(H,20,21)
InChIKey
NQFMXLKOWKQYMG-UHFFFAOYSA-N
Compound name
2-[[2-(4-bromophenyl)acetyl]amino]-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.01572 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.02300 172.0
[M+Na]+ 370.00494 179.3
[M-H]- 346.00844 179.1
[M+NH4]+ 365.04954 187.1
[M+K]+ 385.97888 167.6
[M+H-H2O]+ 330.01298 169.9
[M+HCOO]- 392.01392 190.5
[M+CH3COO]- 406.02957 206.9
[M+Na-2H]- 367.99039 175.3
[M]+ 347.01517 189.0
[M]- 347.01627 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.