CID 6862107

307323-19-9

Structural Information

Molecular Formula
C17H16N4O2
SMILES
CCC1=CC=C(C=C1)/C=N/NC(=O)C2=NNC(=C2)C3=CC=CO3
InChI
InChI=1S/C17H16N4O2/c1-2-12-5-7-13(8-6-12)11-18-21-17(22)15-10-14(19-20-15)16-4-3-9-23-16/h3-11H,2H2,1H3,(H,19,20)(H,21,22)/b18-11+
InChIKey
BCNYZEBTQNDYEU-WOJGMQOQSA-N
Compound name
N-[(E)-(4-ethylphenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.12732 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13460 170.3
[M+Na]+ 331.11654 177.9
[M-H]- 307.12004 179.3
[M+NH4]+ 326.16114 183.7
[M+K]+ 347.09048 174.1
[M+H-H2O]+ 291.12458 160.8
[M+HCOO]- 353.12552 196.3
[M+CH3COO]- 367.14117 182.1
[M+Na-2H]- 329.10199 173.9
[M]+ 308.12677 172.6
[M]- 308.12787 172.6
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.