CID 149475

O-toluamide, n-(2-thiazolidinylidene)-

Structural Information

Molecular Formula
C11H12N2OS
SMILES
CC1=CC=CC=C1C(=O)NC2=NCCS2
InChI
InChI=1S/C11H12N2OS/c1-8-4-2-3-5-9(8)10(14)13-11-12-6-7-15-11/h2-5H,6-7H2,1H3,(H,12,13,14)
InChIKey
OADXJIWNZPDXSQ-UHFFFAOYSA-N
Compound name
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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

No literature data available for this compound.

Patent stripe

patents stripe