CID 9558751

Akos024276162

Structural Information

Molecular Formula
C15H11BrN2O4
SMILES
C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)C3=C(C=C(C=C3)Br)O
InChI
InChI=1S/C15H11BrN2O4/c16-10-2-3-11(12(19)6-10)15(20)18-17-7-9-1-4-13-14(5-9)22-8-21-13/h1-7,19H,8H2,(H,18,20)/b17-7+
InChIKey
MMCYCMMANMFZDQ-REZTVBANSA-N
Compound name
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-bromo-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.99023 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.99751 176.2
[M+Na]+ 384.97945 186.0
[M-H]- 360.98295 187.4
[M+NH4]+ 380.02405 191.8
[M+K]+ 400.95339 176.8
[M+H-H2O]+ 344.98749 174.3
[M+HCOO]- 406.98843 196.8
[M+CH3COO]- 421.00408 211.7
[M+Na-2H]- 382.96490 182.5
[M]+ 361.98968 196.5
[M]- 361.99078 196.5
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.