CID 135547207

302917-97-1

Structural Information

Molecular Formula
C16H14N4O2S
SMILES
CC1=CC=C(S1)C2=CC(=NN2)C(=O)N/N=C/C3=CC=CC=C3O
InChI
InChI=1S/C16H14N4O2S/c1-10-6-7-15(23-10)12-8-13(19-18-12)16(22)20-17-9-11-4-2-3-5-14(11)21/h2-9,21H,1H3,(H,18,19)(H,20,22)/b17-9+
InChIKey
HTTYGWLYPAXOOG-RQZCQDPDSA-N
Compound name
N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.08374 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.09102 173.5
[M+Na]+ 349.07296 182.7
[M-H]- 325.07646 181.5
[M+NH4]+ 344.11756 188.0
[M+K]+ 365.04690 176.8
[M+H-H2O]+ 309.08100 165.4
[M+HCOO]- 371.08194 194.6
[M+CH3COO]- 385.09759 185.0
[M+Na-2H]- 347.05841 173.8
[M]+ 326.08319 176.2
[M]- 326.08429 176.2
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.