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]+ 291.116176 167.2
[M+Na]+ 313.098118 175.4
[M-H]- 289.101624 172.8
[M+NH4]+ 308.142723 183.7
[M+K]+ 329.072058 171.0
[M+H-H2O]+ 273.106160 159.7
[M+HCOO]- 335.107101 185.7
[M+CH3COO]- 349.122751 203.0
[M+Na-2H]- 311.083566 165.6
[M]+ 290.10835142 171.3
[M]- 290.10944858 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

literature stripe

Patent stripe

No patent data available for this compound.