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]+ 249.11685 153.8
[M+Na]+ 271.09879 163.5
[M-H]- 247.10229 157.5
[M+NH4]+ 266.14339 170.5
[M+K]+ 287.07273 158.2
[M+H-H2O]+ 231.10683 145.8
[M+HCOO]- 293.10777 168.3
[M+CH3COO]- 307.12342 165.4
[M+Na-2H]- 269.08424 155.7
[M]+ 248.10902 152.7
[M]- 248.11012 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