CID 135448434

Ccg-50829

Structural Information

Molecular Formula
C17H11BrN2O3
SMILES
C1=CC=C(C=C1)C2=NC(=O)C(=C2C(=O)NC3=CC=C(C=C3)Br)O
InChI
InChI=1S/C17H11BrN2O3/c18-11-6-8-12(9-7-11)19-16(22)13-14(20-17(23)15(13)21)10-4-2-1-3-5-10/h1-9H,(H,19,22)(H,20,21,23)
InChIKey
ZDBVWVWAEDXEOX-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-4-hydroxy-5-oxo-2-phenylpyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

369.9953 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.002576 176.1
[M+Na]+ 392.984518 187.0
[M-H]- 368.988024 186.4
[M+NH4]+ 388.029123 191.4
[M+K]+ 408.958458 174.5
[M+H-H2O]+ 352.992560 173.7
[M+HCOO]- 414.993501 197.0
[M+CH3COO]- 429.009151 210.0
[M+Na-2H]- 390.969966 179.2
[M]+ 369.99475142 194.5
[M]- 369.99584858 194.5
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.