CID 39159993

2402831-17-6

Structural Information

Molecular Formula
C10H15N3O2S
SMILES
CN1CCN(CC1)CC2=NC(=CS2)C(=O)O
InChI
InChI=1S/C10H15N3O2S/c1-12-2-4-13(5-3-12)6-9-11-8(7-16-9)10(14)15/h7H,2-6H2,1H3,(H,14,15)
InChIKey
OZUYYOBCPAKCKI-UHFFFAOYSA-N
Compound name
2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0885 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09578 153.7
[M+Na]+ 264.07772 160.7
[M-H]- 240.08122 155.0
[M+NH4]+ 259.12232 168.8
[M+K]+ 280.05166 157.6
[M+H-H2O]+ 224.08576 146.0
[M+HCOO]- 286.08670 165.1
[M+CH3COO]- 300.10235 186.8
[M+Na-2H]- 262.06317 152.1
[M]+ 241.08795 152.3
[M]- 241.08905 152.3
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.