CID 3078061

B 1216

Structural Information

Molecular Formula
C16H21N3OS
SMILES
CC1=C(SC=N1)OCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C16H21N3OS/c1-14-16(21-13-17-14)20-12-11-18-7-9-19(10-8-18)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3
InChIKey
GAHWMIUURICYHA-UHFFFAOYSA-N
Compound name
4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethoxy]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

303.14053 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.14781 170.3
[M+Na]+ 326.12975 176.9
[M-H]- 302.13325 175.5
[M+NH4]+ 321.17435 183.4
[M+K]+ 342.10369 172.0
[M+H-H2O]+ 286.13779 160.5
[M+HCOO]- 348.13873 183.5
[M+CH3COO]- 362.15438 180.2
[M+Na-2H]- 324.11520 169.4
[M]+ 303.13998 170.1
[M]- 303.14108 170.1
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

patents stripe