CID 212884

25333-84-0

Structural Information

Molecular Formula
C20H14Br2N2O3
SMILES
C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)O)C(=O)NC3=CC=C(C=C3)Br)Br
InChI
InChI=1S/C20H14Br2N2O3/c21-13-2-6-15(7-3-13)23-19(26)12-1-10-18(25)17(11-12)20(27)24-16-8-4-14(22)5-9-16/h1-11,25H,(H,23,26)(H,24,27)
InChIKey
HWHPURHPHLWYTO-UHFFFAOYSA-N
Compound name
1-N,3-N-bis(4-bromophenyl)-4-hydroxybenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.93713 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.94441 187.1
[M+Na]+ 510.92635 193.3
[M-H]- 486.92985 196.4
[M+NH4]+ 505.97095 197.8
[M+K]+ 526.90029 177.4
[M+H-H2O]+ 470.93439 191.3
[M+HCOO]- 532.93533 201.4
[M+CH3COO]- 546.95098 231.6
[M+Na-2H]- 508.91180 189.5
[M]+ 487.93658 218.8
[M]- 487.93768 218.8
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.