CID 6890799

303106-05-0

Structural Information

Molecular Formula
C14H12N4OS2
SMILES
CC1=CC=C(S1)/C=N/NC(=O)C2=NNC(=C2)C3=CC=CS3
InChI
InChI=1S/C14H12N4OS2/c1-9-4-5-10(21-9)8-15-18-14(19)12-7-11(16-17-12)13-3-2-6-20-13/h2-8H,1H3,(H,16,17)(H,18,19)/b15-8+
InChIKey
IGRFRRYFBHMSKW-OVCLIPMQSA-N
Compound name
N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.04526 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.05254 171.0
[M+Na]+ 339.03448 182.1
[M-H]- 315.03798 180.8
[M+NH4]+ 334.07908 189.2
[M+K]+ 355.00842 176.9
[M+H-H2O]+ 299.04252 164.6
[M+HCOO]- 361.04346 189.7
[M+CH3COO]- 375.05911 183.6
[M+Na-2H]- 337.01993 168.9
[M]+ 316.04471 175.6
[M]- 316.04581 175.6
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.