CID 51060639

881840-06-8

Structural Information

Molecular Formula
C28H26FN5O3
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C28H26FN5O3/c1-2-16-37-25-14-10-21(11-15-25)28(36)30-18-26(35)32-31-17-22-19-34(24-6-4-3-5-7-24)33-27(22)20-8-12-23(29)13-9-20/h3-15,17,19H,2,16,18H2,1H3,(H,30,36)(H,32,35)/b31-17+
InChIKey
OOARWAURXMRRLA-KBVAKVRCSA-N
Compound name
N-[2-[(2E)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.20197 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.20925 219.7
[M+Na]+ 522.19119 223.4
[M-H]- 498.19469 229.6
[M+NH4]+ 517.23579 224.1
[M+K]+ 538.16513 217.1
[M+H-H2O]+ 482.19923 205.3
[M+HCOO]- 544.20017 242.3
[M+CH3COO]- 558.21582 249.0
[M+Na-2H]- 520.17664 219.6
[M]+ 499.20142 220.9
[M]- 499.20252 220.9
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.