CID 3074760

161364-73-4

Structural Information

Molecular Formula
C19H27N3O4S
SMILES
CN1CCN(CC1)C(=O)CC(=O)N2CCSC2COC3=CC=CC=C3OC
InChI
InChI=1S/C19H27N3O4S/c1-20-7-9-21(10-8-20)17(23)13-18(24)22-11-12-27-19(22)14-26-16-6-4-3-5-15(16)25-2/h3-6,19H,7-14H2,1-2H3
InChIKey
GLXZJJACNCEAGB-UHFFFAOYSA-N
Compound name
1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-(4-methylpiperazin-1-yl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.17224 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.17952 193.7
[M+Na]+ 416.16146 196.8
[M-H]- 392.16496 198.2
[M+NH4]+ 411.20606 202.6
[M+K]+ 432.13540 193.6
[M+H-H2O]+ 376.16950 184.0
[M+HCOO]- 438.17044 201.9
[M+CH3COO]- 452.18609 216.7
[M+Na-2H]- 414.14691 187.6
[M]+ 393.17169 193.7
[M]- 393.17279 193.7
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.