CID 6869486

3-[4-(benzyloxy)phenyl]-n'-[(e)-(3,5-dimethyl-1-phenyl-1h-pyrazol-4-yl)methylidene]-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C29H26N6O2
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N/NC(=O)C3=CC(=NN3)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C29H26N6O2/c1-20-26(21(2)35(34-20)24-11-7-4-8-12-24)18-30-33-29(36)28-17-27(31-32-28)23-13-15-25(16-14-23)37-19-22-9-5-3-6-10-22/h3-18H,19H2,1-2H3,(H,31,32)(H,33,36)/b30-18+
InChIKey
IFDMVWMJHCDYCL-UXHLAJHPSA-N
Compound name
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.21173 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.21901 216.2
[M+Na]+ 513.20095 222.7
[M-H]- 489.20445 228.4
[M+NH4]+ 508.24555 220.0
[M+K]+ 529.17489 214.4
[M+H-H2O]+ 473.20899 202.6
[M+HCOO]- 535.20993 238.2
[M+CH3COO]- 549.22558 223.8
[M+Na-2H]- 511.18640 215.8
[M]+ 490.21118 218.6
[M]- 490.21228 218.6
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.