CID 5345439

303104-68-9

Structural Information

Molecular Formula
C14H13N5OS
SMILES
CN1C=CC=C1C2=NNC(=C2)C(=O)N/N=C/C3=CC=CS3
InChI
InChI=1S/C14H13N5OS/c1-19-6-2-5-13(19)11-8-12(17-16-11)14(20)18-15-9-10-4-3-7-21-10/h2-9H,1H3,(H,16,17)(H,18,20)/b15-9+
InChIKey
ZGOBEAWMXNHXQM-OQLLNIDSSA-N
Compound name
3-(1-methylpyrrol-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.08408 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09136 166.7
[M+Na]+ 322.07330 176.6
[M-H]- 298.07680 175.4
[M+NH4]+ 317.11790 183.5
[M+K]+ 338.04724 172.4
[M+H-H2O]+ 282.08134 158.4
[M+HCOO]- 344.08228 189.4
[M+CH3COO]- 358.09793 179.2
[M+Na-2H]- 320.05875 166.0
[M]+ 299.08353 170.4
[M]- 299.08463 170.4
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.