CID 6154053

307323-08-6

Structural Information

Molecular Formula
C16H14N4O2
SMILES
CC1=CC=C(C=C1)/C=N/NC(=O)C2=NNC(=C2)C3=CC=CO3
InChI
InChI=1S/C16H14N4O2/c1-11-4-6-12(7-5-11)10-17-20-16(21)14-9-13(18-19-14)15-3-2-8-22-15/h2-10H,1H3,(H,18,19)(H,20,21)/b17-10+
InChIKey
SWJUOYRRACRFKN-LICLKQGHSA-N
Compound name
5-(furan-2-yl)-N-[(E)-(4-methylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.11166 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11894 165.8
[M+Na]+ 317.10088 173.9
[M-H]- 293.10438 175.0
[M+NH4]+ 312.14548 179.8
[M+K]+ 333.07482 170.3
[M+H-H2O]+ 277.10892 156.5
[M+HCOO]- 339.10986 192.2
[M+CH3COO]- 353.12551 178.1
[M+Na-2H]- 315.08633 169.9
[M]+ 294.11111 167.8
[M]- 294.11221 167.8
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.