CID 135438887

307325-07-1

Structural Information

Molecular Formula
C16H14N4O3
SMILES
C/C(=N\NC(=O)C1=NNC(=C1)C2=CC=CO2)/C3=CC=C(C=C3)O
InChI
InChI=1S/C16H14N4O3/c1-10(11-4-6-12(21)7-5-11)17-20-16(22)14-9-13(18-19-14)15-3-2-8-23-15/h2-9,21H,1H3,(H,18,19)(H,20,22)/b17-10+
InChIKey
XSKNKYKMAVQRER-LICLKQGHSA-N
Compound name
5-(furan-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1066 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.11388 169.0
[M+Na]+ 333.09582 176.0
[M-H]- 309.09932 177.1
[M+NH4]+ 328.14042 181.4
[M+K]+ 349.06976 172.9
[M+H-H2O]+ 293.10386 160.0
[M+HCOO]- 355.10480 193.1
[M+CH3COO]- 369.12045 204.3
[M+Na-2H]- 331.08127 171.8
[M]+ 310.10605 170.0
[M]- 310.10715 170.0
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.