CID 135547215

302917-84-6

Structural Information

Molecular Formula
C17H16N4O2S
SMILES
CC1=CC=C(S1)C2=CC(=NN2)C(=O)N/N=C(\C)/C3=CC=CC=C3O
InChI
InChI=1S/C17H16N4O2S/c1-10-7-8-16(24-10)13-9-14(20-19-13)17(23)21-18-11(2)12-5-3-4-6-15(12)22/h3-9,22H,1-2H3,(H,19,20)(H,21,23)/b18-11+
InChIKey
NZOZVBZTCOGKFI-WOJGMQOQSA-N
Compound name
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.0994 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10668 178.5
[M+Na]+ 363.08862 189.0
[M+NH4]+ 358.13322 184.6
[M+K]+ 379.06256 185.4
[M-H]- 339.09212 182.5
[M+Na-2H]- 361.07407 185.6
[M]+ 340.09885 181.2
[M]- 340.09995 181.2
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.