CID 24208803

256414-72-9

Structural Information

Molecular Formula
C10H7N3S
SMILES
C1=CC=C2C(=C1)N=C(S2)C3=CC=NN3
InChI
InChI=1S/C10H7N3S/c1-2-4-9-7(3-1)12-10(14-9)8-5-6-11-13-8/h1-6H,(H,11,13)
InChIKey
YAMYGQRUEXYQIE-UHFFFAOYSA-N
Compound name
2-(1H-pyrazol-5-yl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

201.03607 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.043346 138.9
[M+Na]+ 224.025288 151.6
[M-H]- 200.028794 143.2
[M+NH4]+ 219.069893 159.2
[M+K]+ 239.999228 146.8
[M+H-H2O]+ 184.033330 132.3
[M+HCOO]- 246.034271 157.7
[M+CH3COO]- 260.049921 153.0
[M+Na-2H]- 222.010736 143.0
[M]+ 201.03552142 141.6
[M]- 201.03661858 141.6
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

patents stripe