CID 65348512

6-{[cyclopropyl(methyl)amino]methyl}-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C12H15N3S
SMILES
CN(CC1=CC2=C(C=C1)N=C(S2)N)C3CC3
InChI
InChI=1S/C12H15N3S/c1-15(9-3-4-9)7-8-2-5-10-11(6-8)16-12(13)14-10/h2,5-6,9H,3-4,7H2,1H3,(H2,13,14)
InChIKey
HKIUOXXBMPVLOG-UHFFFAOYSA-N
Compound name
6-[[cyclopropyl(methyl)amino]methyl]-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.09866 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.105936 144.8
[M+Na]+ 256.087878 155.8
[M-H]- 232.091384 153.3
[M+NH4]+ 251.132483 160.3
[M+K]+ 272.061818 151.0
[M+H-H2O]+ 216.095920 137.9
[M+HCOO]- 278.096861 166.4
[M+CH3COO]- 292.112511 158.2
[M+Na-2H]- 254.073326 148.8
[M]+ 233.09811142 150.3
[M]- 233.09920858 150.3
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.