CID 38710

5-bromo-n-butyl-2-hydroxy-3-methylbenzamide

Structural Information

Molecular Formula
C12H16BrNO2
SMILES
CCCCNC(=O)C1=C(C(=CC(=C1)Br)C)O
InChI
InChI=1S/C12H16BrNO2/c1-3-4-5-14-12(16)10-7-9(13)6-8(2)11(10)15/h6-7,15H,3-5H2,1-2H3,(H,14,16)
InChIKey
OXERTUUKTZDQPG-UHFFFAOYSA-N
Compound name
5-bromo-N-butyl-2-hydroxy-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.03644 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.04372 157.2
[M+Na]+ 308.02566 159.2
[M+NH4]+ 303.07026 160.8
[M+K]+ 323.99960 159.4
[M-H]- 284.02916 157.3
[M+Na-2H]- 306.01111 158.9
[M]+ 285.03589 156.2
[M]- 285.03699 156.2
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.