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]+ 231.06990 147.5
[M+Na]+ 253.05184 161.0
[M-H]- 229.05534 153.2
[M+NH4]+ 248.09644 167.3
[M+K]+ 269.02578 156.0
[M+H-H2O]+ 213.05988 140.6
[M+HCOO]- 275.06082 167.7
[M+CH3COO]- 289.07647 161.7
[M+Na-2H]- 251.03729 150.0
[M]+ 230.06207 151.5
[M]- 230.06317 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.