CID 42821

5-bromo-n-ethyl-2-methoxy-3-methylbenzamide

Structural Information

Molecular Formula
C11H14BrNO2
SMILES
CCNC(=O)C1=C(C(=CC(=C1)Br)C)OC
InChI
InChI=1S/C11H14BrNO2/c1-4-13-11(14)9-6-8(12)5-7(2)10(9)15-3/h5-6H,4H2,1-3H3,(H,13,14)
InChIKey
OTEOCYIZBHFSHP-UHFFFAOYSA-N
Compound name
5-bromo-N-ethyl-2-methoxy-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.02078 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.02806 151.6
[M+Na]+ 294.01000 162.8
[M-H]- 270.01350 158.1
[M+NH4]+ 289.05460 171.8
[M+K]+ 309.98394 151.9
[M+H-H2O]+ 254.01804 150.7
[M+HCOO]- 316.01898 173.3
[M+CH3COO]- 330.03463 198.5
[M+Na-2H]- 291.99545 156.5
[M]+ 271.02023 172.2
[M]- 271.02133 172.2
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.