CID 3078457

3-(1h-imidazol-1-ylacetyl)-2-((4-methoxyphenoxy)methyl)thiazolidine

Structural Information

Molecular Formula
C16H19N3O3S
SMILES
COC1=CC=C(C=C1)OCC2N(CCS2)C(=O)CN3C=CN=C3
InChI
InChI=1S/C16H19N3O3S/c1-21-13-2-4-14(5-3-13)22-11-16-19(8-9-23-16)15(20)10-18-7-6-17-12-18/h2-7,12,16H,8-11H2,1H3
InChIKey
NFVMEWLXJNWRCV-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-[2-[(4-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

333.11472 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12200 176.9
[M+Na]+ 356.10394 184.0
[M-H]- 332.10744 183.3
[M+NH4]+ 351.14854 190.6
[M+K]+ 372.07788 181.0
[M+H-H2O]+ 316.11198 168.1
[M+HCOO]- 378.11292 192.1
[M+CH3COO]- 392.12857 204.0
[M+Na-2H]- 354.08939 173.5
[M]+ 333.11417 180.7
[M]- 333.11527 180.7
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

patents stripe