CID 3078091

B 1510

Structural Information

Molecular Formula
C18H25N3O3S
SMILES
CC1=C(SC=N1)OCC(CN2CCN(CC2)C3=CC=CC=C3OC)O
InChI
InChI=1S/C18H25N3O3S/c1-14-18(25-13-19-14)24-12-15(22)11-20-7-9-21(10-8-20)16-5-3-4-6-17(16)23-2/h3-6,13,15,22H,7-12H2,1-2H3
InChIKey
WZZDUDRNFDDSDY-UHFFFAOYSA-N
Compound name
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.16165 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.16893 184.9
[M+Na]+ 386.15087 190.1
[M-H]- 362.15437 188.9
[M+NH4]+ 381.19547 194.8
[M+K]+ 402.12481 185.7
[M+H-H2O]+ 346.15891 175.4
[M+HCOO]- 408.15985 195.3
[M+CH3COO]- 422.17550 210.3
[M+Na-2H]- 384.13632 181.6
[M]+ 363.16110 186.3
[M]- 363.16220 186.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.