CID 1490234

320423-50-5

Structural Information

Molecular Formula
C9H13N3OS
SMILES
CN1CCN(CC1)C2=NC=C(S2)C=O
InChI
InChI=1S/C9H13N3OS/c1-11-2-4-12(5-3-11)9-10-6-8(7-13)14-9/h6-7H,2-5H2,1H3
InChIKey
TUJAFVJUJXMFEG-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

38
Patents

211.07793 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.085206 145.8
[M+Na]+ 234.067148 154.3
[M-H]- 210.070654 148.6
[M+NH4]+ 229.111753 163.1
[M+K]+ 250.041088 151.3
[M+H-H2O]+ 194.075190 137.9
[M+HCOO]- 256.076131 159.9
[M+CH3COO]- 270.091781 157.7
[M+Na-2H]- 232.052596 145.9
[M]+ 211.07738142 145.1
[M]- 211.07847858 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe