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]+ 394.179516 193.7
[M+Na]+ 416.161458 196.8
[M-H]- 392.164964 198.2
[M+NH4]+ 411.206063 202.6
[M+K]+ 432.135398 193.6
[M+H-H2O]+ 376.169500 184.0
[M+HCOO]- 438.170441 201.9
[M+CH3COO]- 452.186091 216.7
[M+Na-2H]- 414.146906 187.6
[M]+ 393.17169142 193.7
[M]- 393.17278858 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.