CID 24212611

3-bromo-n-(2-methoxy-5-methylphenyl)-2-thiophenecarboxamide

Structural Information

Molecular Formula
C13H12BrNO2S
SMILES
CC1=CC(=C(C=C1)OC)NC(=O)C2=C(C=CS2)Br
InChI
InChI=1S/C13H12BrNO2S/c1-8-3-4-11(17-2)10(7-8)15-13(16)12-9(14)5-6-18-12/h3-7H,1-2H3,(H,15,16)
InChIKey
GANINLBHJUMUFI-UHFFFAOYSA-N
Compound name
3-bromo-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.9772 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.98448 159.4
[M+Na]+ 347.96642 171.7
[M-H]- 323.96992 169.5
[M+NH4]+ 343.01102 179.8
[M+K]+ 363.94036 159.6
[M+H-H2O]+ 307.97446 158.9
[M+HCOO]- 369.97540 178.1
[M+CH3COO]- 383.99105 203.3
[M+Na-2H]- 345.95187 161.7
[M]+ 324.97665 181.6
[M]- 324.97775 181.6
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.