CID 3047608

63754-87-0

Structural Information

Molecular Formula
C13H14BrNO2
SMILES
CC1=CC(=CC(=C1O)C(=O)NC(C)(C)C#C)Br
InChI
InChI=1S/C13H14BrNO2/c1-5-13(3,4)15-12(17)10-7-9(14)6-8(2)11(10)16/h1,6-7,16H,2-4H3,(H,15,17)
InChIKey
IASKSUKHCSTEKQ-UHFFFAOYSA-N
Compound name
5-bromo-2-hydroxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.02078 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.02806 157.3
[M+Na]+ 318.01000 159.8
[M+NH4]+ 313.05460 157.9
[M+K]+ 333.98394 157.8
[M-H]- 294.01350 150.1
[M+Na-2H]- 315.99545 156.7
[M]+ 295.02023 153.8
[M]- 295.02133 153.8
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.