CID 135572023

3-[4-(benzyloxy)phenyl]-n'-[(e)-(2-methyl-1h-indol-3-yl)methylidene]-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C27H23N5O2
SMILES
CC1=C(C2=CC=CC=C2N1)/C=N/NC(=O)C3=CC(=NN3)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C27H23N5O2/c1-18-23(22-9-5-6-10-24(22)29-18)16-28-32-27(33)26-15-25(30-31-26)20-11-13-21(14-12-20)34-17-19-7-3-2-4-8-19/h2-16,29H,17H2,1H3,(H,30,31)(H,32,33)/b28-16+
InChIKey
XQGHYDAGNGWOBQ-LQKURTRISA-N
Compound name
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.18518 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.19246 204.4
[M+Na]+ 472.17440 210.9
[M-H]- 448.17790 214.2
[M+NH4]+ 467.21900 211.8
[M+K]+ 488.14834 202.5
[M+H-H2O]+ 432.18244 192.8
[M+HCOO]- 494.18338 225.8
[M+CH3COO]- 508.19903 212.5
[M+Na-2H]- 470.15985 206.1
[M]+ 449.18463 205.2
[M]- 449.18573 205.2
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.