CID 135406265

2-(phenylamino)-4,5-dihydro-1,3-thiazol-4-one

Structural Information

Molecular Formula
C9H8N2OS
SMILES
C1C(=O)NC(=NC2=CC=CC=C2)S1
InChI
InChI=1S/C9H8N2OS/c12-8-6-13-9(11-8)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11,12)
InChIKey
IYGBTPGRKGQPLW-UHFFFAOYSA-N
Compound name
2-phenylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

318
Patents

192.03574 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04302 138.9
[M+Na]+ 215.02496 147.0
[M-H]- 191.02846 144.6
[M+NH4]+ 210.06956 159.1
[M+K]+ 230.99890 143.2
[M+H-H2O]+ 175.03300 132.2
[M+HCOO]- 237.03394 158.2
[M+CH3COO]- 251.04959 152.1
[M+Na-2H]- 213.01041 141.7
[M]+ 192.03519 136.8
[M]- 192.03629 136.8
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