CID 3047609

F 1349

Structural Information

Molecular Formula
C15H18BrNO2
SMILES
CCC(CC)(C#C)NC(=O)C1=C(C(=CC(=C1)Br)C)O
InChI
InChI=1S/C15H18BrNO2/c1-5-15(6-2,7-3)17-14(19)12-9-11(16)8-10(4)13(12)18/h1,8-9,18H,6-7H2,2-4H3,(H,17,19)
InChIKey
HWSWBGOGQZGGJS-UHFFFAOYSA-N
Compound name
5-bromo-N-(3-ethylpent-1-yn-3-yl)-2-hydroxy-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.0521 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.05938 169.4
[M+Na]+ 346.04132 181.3
[M-H]- 322.04482 171.7
[M+NH4]+ 341.08592 184.8
[M+K]+ 362.01526 168.3
[M+H-H2O]+ 306.04936 162.7
[M+HCOO]- 368.05030 184.0
[M+CH3COO]- 382.06595 211.7
[M+Na-2H]- 344.02677 171.4
[M]+ 323.05155 181.2
[M]- 323.05265 181.2
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.