CID 51060564

881683-67-6

Structural Information

Molecular Formula
C27H25N5O3
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)CNC(=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C27H25N5O3/c1-19-8-10-20(11-9-19)26-22(18-32(31-26)23-6-4-3-5-7-23)16-29-30-25(33)17-28-27(34)21-12-14-24(35-2)15-13-21/h3-16,18H,17H2,1-2H3,(H,28,34)(H,30,33)/b29-16+
InChIKey
UFZGHQASGVTIQN-MUFRIFMGSA-N
Compound name
4-methoxy-N-[2-[(2E)-2-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.19574 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.20302 215.5
[M+Na]+ 490.18496 228.1
[M+NH4]+ 485.22956 220.2
[M+K]+ 506.15890 222.1
[M-H]- 466.18846 223.1
[M+Na-2H]- 488.17041 225.5
[M]+ 467.19519 219.1
[M]- 467.19629 219.1
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.