CID 51060532

881683-56-3

Structural Information

Molecular Formula
C29H29N5O3
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CN(N=C2C3=CC=C(C=C3)C)C4=CC=CC=C4
InChI
InChI=1S/C29H29N5O3/c1-3-17-37-26-15-13-23(14-16-26)29(36)30-19-27(35)32-31-18-24-20-34(25-7-5-4-6-8-25)33-28(24)22-11-9-21(2)10-12-22/h4-16,18,20H,3,17,19H2,1-2H3,(H,30,36)(H,32,35)/b31-18+
InChIKey
ZAMQAXAHMVFQAN-FDAWAROLSA-N
Compound name
N-[2-[(2E)-2-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.22705 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.23433 224.2
[M+Na]+ 518.21627 236.3
[M+NH4]+ 513.26087 228.5
[M+K]+ 534.19021 229.9
[M-H]- 494.21977 231.7
[M+Na-2H]- 516.20172 233.7
[M]+ 495.22650 227.7
[M]- 495.22760 227.7
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.