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
1-(1,2-benzothiazol-3-yl)-3-phenylpyrazol-5-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]+ 293.085556 163.6
[M+Na]+ 315.067498 176.3
[M-H]- 291.071004 172.3
[M+NH4]+ 310.112103 180.3
[M+K]+ 331.041438 169.5
[M+H-H2O]+ 275.075540 155.6
[M+HCOO]- 337.076481 183.6
[M+CH3COO]- 351.092131 176.6
[M+Na-2H]- 313.052946 165.9
[M]+ 292.07773142 166.9
[M]- 292.07882858 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.