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]+ 242.095776 153.7
[M+Na]+ 264.077718 160.7
[M-H]- 240.081224 155.0
[M+NH4]+ 259.122323 168.8
[M+K]+ 280.051658 157.6
[M+H-H2O]+ 224.085760 146.0
[M+HCOO]- 286.086701 165.1
[M+CH3COO]- 300.102351 186.8
[M+Na-2H]- 262.063166 152.1
[M]+ 241.08795142 152.3
[M]- 241.08904858 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.