CID 38711

5-bromo-2-hydroxy-3-methyl-n-(2-methylpropyl)benzamide

Structural Information

Molecular Formula
C12H16BrNO2
SMILES
CC1=CC(=CC(=C1O)C(=O)NCC(C)C)Br
InChI
InChI=1S/C12H16BrNO2/c1-7(2)6-14-12(16)10-5-9(13)4-8(3)11(10)15/h4-5,7,15H,6H2,1-3H3,(H,14,16)
InChIKey
BAQWMMJSDASBPG-UHFFFAOYSA-N
Compound name
5-bromo-2-hydroxy-3-methyl-N-(2-methylpropyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.03644 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.04372 157.6
[M+Na]+ 308.02566 167.6
[M-H]- 284.02916 162.6
[M+NH4]+ 303.07026 176.4
[M+K]+ 323.99960 156.1
[M+H-H2O]+ 268.03370 156.7
[M+HCOO]- 330.03464 176.5
[M+CH3COO]- 344.05029 199.8
[M+Na-2H]- 306.01111 160.2
[M]+ 285.03589 176.1
[M]- 285.03699 176.1
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

patents stripe