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 212.9
[M+Na]+ 490.18496 217.1
[M-H]- 466.18846 224.5
[M+NH4]+ 485.22956 218.7
[M+K]+ 506.15890 211.5
[M+H-H2O]+ 450.19300 199.8
[M+HCOO]- 512.19394 237.0
[M+CH3COO]- 526.20959 243.6
[M+Na-2H]- 488.17041 213.9
[M]+ 467.19519 214.8
[M]- 467.19629 214.8
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.