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]+ 289.148146 166.8
[M+Na]+ 311.130088 174.2
[M-H]- 287.133594 170.8
[M+NH4]+ 306.174693 179.3
[M+K]+ 327.104028 168.7
[M+H-H2O]+ 271.138130 156.5
[M+HCOO]- 333.139071 178.8
[M+CH3COO]- 347.154721 176.6
[M+Na-2H]- 309.115536 166.1
[M]+ 288.14032142 165.4
[M]- 288.14141858 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.