CID 3086830

Brn 5151230

Structural Information

Molecular Formula
C20H21N3O3S
SMILES
CC1=CC=CC=C1N=C2N(C(=O)CS2)NC(=O)COC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C20H21N3O3S/c1-13-8-14(2)10-16(9-13)26-11-18(24)22-23-19(25)12-27-20(23)21-17-7-5-4-6-15(17)3/h4-10H,11-12H2,1-3H3,(H,22,24)
InChIKey
OVLUCFBWUQPAIQ-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylphenoxy)-N-[2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.13037 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13765 191.4
[M+Na]+ 406.11959 198.3
[M-H]- 382.12309 201.6
[M+NH4]+ 401.16419 204.3
[M+K]+ 422.09353 193.4
[M+H-H2O]+ 366.12763 182.2
[M+HCOO]- 428.12857 210.4
[M+CH3COO]- 442.14422 224.4
[M+Na-2H]- 404.10504 189.0
[M]+ 383.12982 194.7
[M]- 383.13092 194.7
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.