CID 135554392

302917-81-3

Structural Information

Molecular Formula
C16H20N4O3
SMILES
CC(C)C1=CC(=NN1)C(=O)N/N=C(\C)/C2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C16H20N4O3/c1-9(2)12-8-13(19-18-12)16(22)20-17-10(3)11-5-6-14(21)15(7-11)23-4/h5-9,21H,1-4H3,(H,18,19)(H,20,22)/b17-10+
InChIKey
YRLJNQHBUNLXGS-LICLKQGHSA-N
Compound name
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.15353 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16081 175.2
[M+Na]+ 339.14275 183.7
[M+NH4]+ 334.18735 179.4
[M+K]+ 355.11669 182.1
[M-H]- 315.14625 176.1
[M+Na-2H]- 337.12820 179.0
[M]+ 316.15298 176.0
[M]- 316.15408 176.0
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.