CID 374737

Nsc652929

Structural Information

Molecular Formula
C16H12N4S
SMILES
C1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NSC4=CC=CC=C43
InChI
InChI=1S/C16H12N4S/c17-15-10-13(11-6-2-1-3-7-11)18-20(15)16-12-8-4-5-9-14(12)21-19-16/h1-10H,17H2
InChIKey
SFFPLXCAHLNACT-UHFFFAOYSA-N
Compound name
2-(1,2-benzothiazol-3-yl)-5-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.07828 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08556 163.6
[M+Na]+ 315.06750 176.3
[M-H]- 291.07100 172.3
[M+NH4]+ 310.11210 180.3
[M+K]+ 331.04144 169.5
[M+H-H2O]+ 275.07554 155.6
[M+HCOO]- 337.07648 183.6
[M+CH3COO]- 351.09213 176.6
[M+Na-2H]- 313.05295 165.9
[M]+ 292.07773 166.9
[M]- 292.07883 166.9
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.