CID 6869522

Way-301537

Structural Information

Molecular Formula
C15H13N5OS
SMILES
CC1=CC=C(S1)C2=CC(=NN2)C(=O)N/N=C/C3=CC=NC=C3
InChI
InChI=1S/C15H13N5OS/c1-10-2-3-14(22-10)12-8-13(19-18-12)15(21)20-17-9-11-4-6-16-7-5-11/h2-9H,1H3,(H,18,19)(H,20,21)/b17-9+
InChIKey
WZHSVZHJUQZGTC-RQZCQDPDSA-N
Compound name
5-(5-methylthiophen-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

311.08408 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.09136 169.3
[M+Na]+ 334.07330 179.0
[M-H]- 310.07680 177.2
[M+NH4]+ 329.11790 183.7
[M+K]+ 350.04724 173.2
[M+H-H2O]+ 294.08134 160.2
[M+HCOO]- 356.08228 190.8
[M+CH3COO]- 370.09793 181.1
[M+Na-2H]- 332.05875 170.8
[M]+ 311.08353 172.1
[M]- 311.08463 172.1
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

patents stripe