CID 5276259

2-butoxy-5-(2-methylthiazol-5-yl)benzamide

Structural Information

Molecular Formula
C15H18N2O2S
SMILES
CCCCOC1=C(C=C(C=C1)C2=CN=C(S2)C)C(=O)N
InChI
InChI=1S/C15H18N2O2S/c1-3-4-7-19-13-6-5-11(8-12(13)15(16)18)14-9-17-10(2)20-14/h5-6,8-9H,3-4,7H2,1-2H3,(H2,16,18)
InChIKey
QENDYAFEFMOPIF-UHFFFAOYSA-N
Compound name
2-butoxy-5-(2-methyl-1,3-thiazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.1089 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11618 167.2
[M+Na]+ 313.09812 175.4
[M-H]- 289.10162 172.8
[M+NH4]+ 308.14272 183.7
[M+K]+ 329.07206 171.0
[M+H-H2O]+ 273.10616 159.7
[M+HCOO]- 335.10710 185.7
[M+CH3COO]- 349.12275 203.0
[M+Na-2H]- 311.08357 165.6
[M]+ 290.10835 171.3
[M]- 290.10945 171.3
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.