CID 135799355

303106-08-3

Structural Information

Molecular Formula
C17H16N4O4S
SMILES
COC1=CC(=CC(=C1O)OC)/C=N/NC(=O)C2=NNC(=C2)C3=CC=CS3
InChI
InChI=1S/C17H16N4O4S/c1-24-13-6-10(7-14(25-2)16(13)22)9-18-21-17(23)12-8-11(19-20-12)15-4-3-5-26-15/h3-9,22H,1-2H3,(H,19,20)(H,21,23)/b18-9+
InChIKey
KRWOAPCQWLUTBE-GIJQJNRQSA-N
Compound name
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.08923 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09651 186.0
[M+Na]+ 395.07845 196.2
[M+NH4]+ 390.12305 191.0
[M+K]+ 411.05239 193.0
[M-H]- 371.08195 189.3
[M+Na-2H]- 393.06390 192.2
[M]+ 372.08868 188.4
[M]- 372.08978 188.4
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.