CID 135547213

302917-79-9

Structural Information

Molecular Formula
C17H16N4O2S
SMILES
CC1=CC=C(S1)C2=CC(=NN2)C(=O)N/N=C(\C)/C3=CC=C(C=C3)O
InChI
InChI=1S/C17H16N4O2S/c1-10-3-8-16(24-10)14-9-15(20-19-14)17(23)21-18-11(2)12-4-6-13(22)7-5-12/h3-9,22H,1-2H3,(H,19,20)(H,21,23)/b18-11+
InChIKey
LSEBPFLWLPNZKS-WOJGMQOQSA-N
Compound name
N-[(E)-1-(4-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]+ 341.106676 178.4
[M+Na]+ 363.088618 186.8
[M-H]- 339.092124 186.4
[M+NH4]+ 358.133223 192.3
[M+K]+ 379.062558 181.3
[M+H-H2O]+ 323.096660 170.4
[M+HCOO]- 385.097601 198.1
[M+CH3COO]- 399.113251 189.3
[M+Na-2H]- 361.074066 177.2
[M]+ 340.09885142 180.9
[M]- 340.09994858 180.9
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.