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 184.2
[M+Na]+ 388.08386 196.3
[M-H]- 364.08736 195.8
[M+NH4]+ 383.12846 199.1
[M+K]+ 404.05780 191.3
[M+H-H2O]+ 348.09190 174.9
[M+HCOO]- 410.09284 207.0
[M+CH3COO]- 424.10849 196.8
[M+Na-2H]- 386.06931 185.8
[M]+ 365.09409 192.3
[M]- 365.09519 192.3
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.