CID 3709459

765286-89-3

Structural Information

Molecular Formula
C17H16N4O2S
SMILES
COC1=C(C=C(C=C1)C=NC2C(=NNC2=S)C3=CC=CC=N3)OC
InChI
InChI=1S/C17H16N4O2S/c1-22-13-7-6-11(9-14(13)23-2)10-19-16-15(20-21-17(16)24)12-5-3-4-8-18-12/h3-10,16H,1-2H3,(H,21,24)
InChIKey
WGAGEDPBWTYWGU-UHFFFAOYSA-N
Compound name
4-[(3,4-dimethoxyphenyl)methylideneamino]-3-pyridin-2-yl-1,4-dihydropyrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.0994 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.106676 179.1
[M+Na]+ 363.088618 188.5
[M-H]- 339.092124 185.8
[M+NH4]+ 358.133223 190.8
[M+K]+ 379.062558 181.9
[M+H-H2O]+ 323.096660 169.3
[M+HCOO]- 385.097601 196.2
[M+CH3COO]- 399.113251 189.6
[M+Na-2H]- 361.074066 179.2
[M]+ 340.09885142 182.0
[M]- 340.09994858 182.0
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.