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 174.9
[M+Na]+ 339.14275 180.5
[M-H]- 315.14625 178.3
[M+NH4]+ 334.18735 187.1
[M+K]+ 355.11669 177.5
[M+H-H2O]+ 299.15079 166.0
[M+HCOO]- 361.15173 195.4
[M+CH3COO]- 375.16738 210.4
[M+Na-2H]- 337.12820 174.5
[M]+ 316.15298 175.2
[M]- 316.15408 175.2
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.