CID 9624570

N'-(3-hydroxybenzylidene)-3-(3-methoxyphenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C18H16N4O3
SMILES
COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC(=CC=C3)O
InChI
InChI=1S/C18H16N4O3/c1-25-15-7-3-5-13(9-15)16-10-17(21-20-16)18(24)22-19-11-12-4-2-6-14(23)8-12/h2-11,23H,1H3,(H,20,21)(H,22,24)/b19-11+
InChIKey
DBUAMNZOVDLIHH-YBFXNURJSA-N
Compound name
N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.12225 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.12953 176.4
[M+Na]+ 359.11147 182.9
[M-H]- 335.11497 183.0
[M+NH4]+ 354.15607 187.3
[M+K]+ 375.08541 177.6
[M+H-H2O]+ 319.11951 166.2
[M+HCOO]- 381.12045 199.5
[M+CH3COO]- 395.13610 210.6
[M+Na-2H]- 357.09692 179.9
[M]+ 336.12170 176.1
[M]- 336.12280 176.1
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.