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]+ 245.085536 150.9
[M+Na]+ 267.067478 163.0
[M-H]- 243.070984 156.5
[M+NH4]+ 262.112083 170.1
[M+K]+ 283.041418 158.3
[M+H-H2O]+ 227.075520 143.4
[M+HCOO]- 289.076461 171.4
[M+CH3COO]- 303.092111 164.5
[M+Na-2H]- 265.052926 154.6
[M]+ 244.07771142 155.7
[M]- 244.07880858 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.