CID 21156098

73038-34-3

Structural Information

Molecular Formula
C18H15N5O2S
SMILES
CC1=NN(C(=O)C1N=NC2=NC3=C(S2)C=C(C=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C18H15N5O2S/c1-11-16(17(24)23(22-11)12-6-4-3-5-7-12)20-21-18-19-14-9-8-13(25-2)10-15(14)26-18/h3-10,16H,1-2H3
InChIKey
DENVACOFQBBQMD-UHFFFAOYSA-N
Compound name
4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.09464 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10192 183.5
[M+Na]+ 388.08386 197.9
[M+NH4]+ 383.12846 191.1
[M+K]+ 404.05780 191.8
[M-H]- 364.08736 189.8
[M+Na-2H]- 386.06931 192.3
[M]+ 365.09409 187.8
[M]- 365.09519 187.8
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.