CID 3073045

145510-85-6

Structural Information

Molecular Formula
C18H14BrNO4
SMILES
C1=CC=C(C=C1)N2C(C(=C(C2=O)O)CC(=O)O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C18H14BrNO4/c19-12-8-6-11(7-9-12)16-14(10-15(21)22)17(23)18(24)20(16)13-4-2-1-3-5-13/h1-9,16,23H,10H2,(H,21,22)
InChIKey
IKQFQTHASNTFMG-UHFFFAOYSA-N
Compound name
2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

387.01062 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.01790 183.6
[M+Na]+ 409.99984 187.1
[M+NH4]+ 405.04444 186.2
[M+K]+ 425.97378 188.6
[M-H]- 386.00334 185.1
[M+Na-2H]- 407.98529 186.3
[M]+ 387.01007 183.2
[M]- 387.01117 183.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.