CID 2311153

1-(1,3-benzothiazol-2-yl)-3-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C11H10N4S
SMILES
CC1=NN(C(=C1)N)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C11H10N4S/c1-7-6-10(12)15(14-7)11-13-8-4-2-3-5-9(8)16-11/h2-6H,12H2,1H3
InChIKey
MAVWAUNAOWRFBW-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

230.06262 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.069896 147.5
[M+Na]+ 253.051838 161.0
[M-H]- 229.055344 153.2
[M+NH4]+ 248.096443 167.3
[M+K]+ 269.025778 156.0
[M+H-H2O]+ 213.059880 140.6
[M+HCOO]- 275.060821 167.7
[M+CH3COO]- 289.076471 161.7
[M+Na-2H]- 251.037286 150.0
[M]+ 230.06207142 151.5
[M]- 230.06316858 151.5
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

No patent data available for this compound.