CID 3058837

Brn 5985234

Structural Information

Molecular Formula
C19H18N2O2S
SMILES
CC1=CC=CC=C1C(=O)N(C2=NCCS2)C(=O)C3=CC=CC=C3C
InChI
InChI=1S/C19H18N2O2S/c1-13-7-3-5-9-15(13)17(22)21(19-20-11-12-24-19)18(23)16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3
InChIKey
MYDJXIDACJVMHP-UHFFFAOYSA-N
Compound name
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-N-(2-methylbenzoyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1089 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11618 180.7
[M+Na]+ 361.09812 186.9
[M-H]- 337.10162 190.8
[M+NH4]+ 356.14272 195.2
[M+K]+ 377.07206 183.1
[M+H-H2O]+ 321.10616 171.9
[M+HCOO]- 383.10710 198.2
[M+CH3COO]- 397.12275 212.0
[M+Na-2H]- 359.08357 178.6
[M]+ 338.10835 182.7
[M]- 338.10945 182.7
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.