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 183.6
[M+Na]+ 395.07845 192.3
[M-H]- 371.08195 191.7
[M+NH4]+ 390.12305 196.1
[M+K]+ 411.05239 187.6
[M+H-H2O]+ 355.08649 175.2
[M+HCOO]- 417.08743 204.5
[M+CH3COO]- 431.10308 214.3
[M+Na-2H]- 393.06390 183.2
[M]+ 372.08868 189.5
[M]- 372.08978 189.5
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.