CID 34253

Benzothiazole, 2-(4-(ethylamino)-1-pyrazolyl)-

Structural Information

Molecular Formula
C12H12N4S
SMILES
CCNC1=CN(N=C1)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C12H12N4S/c1-2-13-9-7-14-16(8-9)12-15-10-5-3-4-6-11(10)17-12/h3-8,13H,2H2,1H3
InChIKey
YJOASJHQDQRCHO-UHFFFAOYSA-N
Compound name
1-(1,3-benzothiazol-2-yl)-N-ethylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.07826 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08554 150.9
[M+Na]+ 267.06748 163.0
[M-H]- 243.07098 156.5
[M+NH4]+ 262.11208 170.1
[M+K]+ 283.04142 158.3
[M+H-H2O]+ 227.07552 143.4
[M+HCOO]- 289.07646 171.4
[M+CH3COO]- 303.09211 164.5
[M+Na-2H]- 265.05293 154.6
[M]+ 244.07771 155.7
[M]- 244.07881 155.7
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

No patent data available for this compound.