CID 108994

4-bromo-3,5-dihydroxy-n,n-bis(2-hydroxyethyl)benzamide

Structural Information

Molecular Formula
C11H14BrNO5
SMILES
C1=C(C=C(C(=C1O)Br)O)C(=O)N(CCO)CCO
InChI
InChI=1S/C11H14BrNO5/c12-10-8(16)5-7(6-9(10)17)11(18)13(1-3-14)2-4-15/h5-6,14-17H,1-4H2
InChIKey
WFBOGRVLTDVBOL-UHFFFAOYSA-N
Compound name
4-bromo-3,5-dihydroxy-N,N-bis(2-hydroxyethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.00555 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.01283 161.2
[M+Na]+ 341.99477 169.9
[M-H]- 317.99827 163.4
[M+NH4]+ 337.03937 176.8
[M+K]+ 357.96871 158.7
[M+H-H2O]+ 302.00281 159.6
[M+HCOO]- 364.00375 177.9
[M+CH3COO]- 378.01940 198.8
[M+Na-2H]- 339.98022 163.4
[M]+ 319.00500 179.6
[M]- 319.00610 179.6
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.