CID 799139

Benzamide, n-(4,5-dihydro-2-thiazolyl)-3-methyl-

Structural Information

Molecular Formula
C11H12N2OS
SMILES
CC1=CC(=CC=C1)C(=O)NC2=NCCS2
InChI
InChI=1S/C11H12N2OS/c1-8-3-2-4-9(7-8)10(14)13-11-12-5-6-15-11/h2-4,7H,5-6H2,1H3,(H,12,13,14)
InChIKey
ZPPXSYPBRRFKCX-UHFFFAOYSA-N
Compound name
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

220.06703 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07431 147.8
[M+Na]+ 243.05625 155.4
[M-H]- 219.05975 153.6
[M+NH4]+ 238.10085 167.0
[M+K]+ 259.03019 152.0
[M+H-H2O]+ 203.06429 140.7
[M+HCOO]- 265.06523 166.7
[M+CH3COO]- 279.08088 186.3
[M+Na-2H]- 241.04170 149.4
[M]+ 220.06648 147.8
[M]- 220.06758 147.8
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

patents stripe