CID 3078057

B 1258

Structural Information

Molecular Formula
C18H25N3O2S
SMILES
CCOC1=CC=CC=C1N2CCN(CC2)CCOC3=C(N=CS3)C
InChI
InChI=1S/C18H25N3O2S/c1-3-22-17-7-5-4-6-16(17)21-10-8-20(9-11-21)12-13-23-18-15(2)19-14-24-18/h4-7,14H,3,8-13H2,1-2H3
InChIKey
GGVSQYCGPKXJCE-UHFFFAOYSA-N
Compound name
5-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

347.16675 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17403 182.3
[M+Na]+ 370.15597 188.6
[M-H]- 346.15947 187.5
[M+NH4]+ 365.20057 193.8
[M+K]+ 386.12991 183.8
[M+H-H2O]+ 330.16401 172.2
[M+HCOO]- 392.16495 195.0
[M+CH3COO]- 406.18060 191.5
[M+Na-2H]- 368.14142 179.9
[M]+ 347.16620 184.6
[M]- 347.16730 184.6
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

patents stripe