CID 44722289

303106-16-3

Structural Information

Molecular Formula
C15H14N4OS2
SMILES
CC1=CC=C(S1)C2=CC(=NN2)C(=O)N/N=C(\C)/C3=CC=CS3
InChI
InChI=1S/C15H14N4OS2/c1-9-5-6-14(22-9)11-8-12(18-17-11)15(20)19-16-10(2)13-4-3-7-21-13/h3-8H,1-2H3,(H,17,18)(H,19,20)/b16-10+
InChIKey
JBWHZQWGGXFDNN-MHWRWJLKSA-N
Compound name
5-(5-methylthiophen-2-yl)-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.0609 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.06818 176.1
[M+Na]+ 353.05012 186.2
[M-H]- 329.05362 185.9
[M+NH4]+ 348.09472 193.6
[M+K]+ 369.02406 181.4
[M+H-H2O]+ 313.05816 169.7
[M+HCOO]- 375.05910 193.4
[M+CH3COO]- 389.07475 188.1
[M+Na-2H]- 351.03557 172.7
[M]+ 330.06035 180.5
[M]- 330.06145 180.5
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.