CID 3078079

B 1395

Structural Information

Molecular Formula
C20H29N3O3S
SMILES
CCCOC1=CC=CC=C1N2CCN(CC2)CC(COC3=C(N=CS3)C)O
InChI
InChI=1S/C20H29N3O3S/c1-3-12-25-19-7-5-4-6-18(19)23-10-8-22(9-11-23)13-17(24)14-26-20-16(2)21-15-27-20/h4-7,15,17,24H,3,8-14H2,1-2H3
InChIKey
AKQQBGKAZSOMQI-UHFFFAOYSA-N
Compound name
1-[(4-methyl-1,3-thiazol-5-yl)oxy]-3-[4-(2-propoxyphenyl)piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.19296 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.200236 193.2
[M+Na]+ 414.182178 197.3
[M-H]- 390.185684 196.8
[M+NH4]+ 409.226783 201.8
[M+K]+ 430.156118 192.5
[M+H-H2O]+ 374.190220 183.2
[M+HCOO]- 436.191161 202.8
[M+CH3COO]- 450.206811 216.1
[M+Na-2H]- 412.167626 188.9
[M]+ 391.19241142 195.1
[M]- 391.19350858 195.1
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.