CID 135511245

4-bromo-2-hydroxy-n-[(e)-1h-pyrrol-2-ylmethyleneamino]benzamide

Structural Information

Molecular Formula
C12H10BrN3O2
SMILES
C1=CNC(=C1)/C=N/NC(=O)C2=C(C=C(C=C2)Br)O
InChI
InChI=1S/C12H10BrN3O2/c13-8-3-4-10(11(17)6-8)12(18)16-15-7-9-2-1-5-14-9/h1-7,14,17H,(H,16,18)/b15-7+
InChIKey
AWVLIMOQGLBGER-VIZOYTHASA-N
Compound name
4-bromo-2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.99564 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.00292 159.5
[M+Na]+ 329.98486 169.3
[M-H]- 305.98836 166.4
[M+NH4]+ 325.02946 177.0
[M+K]+ 345.95880 156.6
[M+H-H2O]+ 289.99290 157.1
[M+HCOO]- 351.99384 181.7
[M+CH3COO]- 366.00949 199.6
[M+Na-2H]- 327.97031 164.8
[M]+ 306.99509 175.8
[M]- 306.99619 175.8
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.