CID 211594

23433-27-4

Structural Information

Molecular Formula
C15H20N4S
SMILES
CC1=C(SC=N1)CCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C15H20N4S/c1-13-14(20-12-17-13)5-7-18-8-10-19(11-9-18)15-4-2-3-6-16-15/h2-4,6,12H,5,7-11H2,1H3
InChIKey
URORHIIWJNNSDB-UHFFFAOYSA-N
Compound name
4-methyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.14087 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14815 166.8
[M+Na]+ 311.13009 174.2
[M-H]- 287.13359 170.8
[M+NH4]+ 306.17469 179.3
[M+K]+ 327.10403 168.7
[M+H-H2O]+ 271.13813 156.5
[M+HCOO]- 333.13907 178.8
[M+CH3COO]- 347.15472 176.6
[M+Na-2H]- 309.11554 166.1
[M]+ 288.14032 165.4
[M]- 288.14142 165.4
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.