CID 55025334

2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-amine

Structural Information

Molecular Formula
C12H16N4S
SMILES
CN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)N
InChI
InChI=1S/C12H16N4S/c1-15-4-6-16(7-5-15)12-14-10-3-2-9(13)8-11(10)17-12/h2-3,8H,4-7,13H2,1H3
InChIKey
LIDFZJSMIUQYTK-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

248.10957 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.116846 153.8
[M+Na]+ 271.098788 163.5
[M-H]- 247.102294 157.5
[M+NH4]+ 266.143393 170.5
[M+K]+ 287.072728 158.2
[M+H-H2O]+ 231.106830 145.8
[M+HCOO]- 293.107771 168.3
[M+CH3COO]- 307.123421 165.4
[M+Na-2H]- 269.084236 155.7
[M]+ 248.10902142 152.7
[M]- 248.11011858 152.7
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

patents stripe