CID 135804432

303106-15-2

Structural Information

Molecular Formula
C17H16N4O4
SMILES
CC1=CC=C(O1)C2=CC(=NN2)C(=O)N/N=C/C3=C(C(=CC=C3)OC)O
InChI
InChI=1S/C17H16N4O4/c1-10-6-7-14(25-10)12-8-13(20-19-12)17(23)21-18-9-11-4-3-5-15(24-2)16(11)22/h3-9,22H,1-2H3,(H,19,20)(H,21,23)/b18-9+
InChIKey
WAUAMYGPZUERKI-GIJQJNRQSA-N
Compound name
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.11716 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12444 176.6
[M+Na]+ 363.10638 184.9
[M-H]- 339.10988 185.1
[M+NH4]+ 358.15098 188.3
[M+K]+ 379.08032 181.8
[M+H-H2O]+ 323.11442 167.6
[M+HCOO]- 385.11536 201.4
[M+CH3COO]- 399.13101 211.1
[M+Na-2H]- 361.09183 178.6
[M]+ 340.11661 180.6
[M]- 340.11771 180.6
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.