CID 3080280

Brn 4213335

Structural Information

Molecular Formula
C19H19N2O3PS2
SMILES
CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N4CCSC4=O
InChI
InChI=1S/C19H19N2O3PS2/c1-2-24-25(23,21-11-12-26-19(21)22)13-14-7-9-15(10-8-14)18-20-16-5-3-4-6-17(16)27-18/h3-10H,2,11-13H2,1H3
InChIKey
LXPVOXKIKAAFJW-UHFFFAOYSA-N
Compound name
3-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]-1,3-thiazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.05746 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.06474 191.0
[M+Na]+ 441.04668 200.0
[M-H]- 417.05018 198.7
[M+NH4]+ 436.09128 204.7
[M+K]+ 457.02062 195.2
[M+H-H2O]+ 401.05472 181.9
[M+HCOO]- 463.05566 208.0
[M+CH3COO]- 477.07131 219.0
[M+Na-2H]- 439.03213 187.2
[M]+ 418.05691 196.6
[M]- 418.05801 196.6
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

No patent data available for this compound.