CID 135770218

Brn 1499517

Structural Information

Molecular Formula
C17H13BrN2O3
SMILES
C1C(C(=O)N(C1=O)/N=C/C2=CC=CC=C2O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C17H13BrN2O3/c18-13-6-3-5-11(8-13)14-9-16(22)20(17(14)23)19-10-12-4-1-2-7-15(12)21/h1-8,10,14,21H,9H2/b19-10+
InChIKey
GKDMZISPLZMCDC-VXLYETTFSA-N
Compound name
3-(3-bromophenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.01096 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.01824 176.8
[M+Na]+ 395.00018 187.9
[M-H]- 371.00368 188.1
[M+NH4]+ 390.04478 192.9
[M+K]+ 410.97412 175.3
[M+H-H2O]+ 355.00822 174.4
[M+HCOO]- 417.00916 197.7
[M+CH3COO]- 431.02481 212.5
[M+Na-2H]- 392.98563 179.0
[M]+ 372.01041 194.7
[M]- 372.01151 194.7
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.