CID 51061040

881664-61-5

Structural Information

Molecular Formula
C31H25ClN4O2
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C3=CC=CC=C3OCC4=CC=C(C=C4)Cl)C5=CC=CC=C5
InChI
InChI=1S/C31H25ClN4O2/c1-22-11-15-24(16-12-22)30-25(20-36(35-30)27-7-3-2-4-8-27)19-33-34-31(37)28-9-5-6-10-29(28)38-21-23-13-17-26(32)18-14-23/h2-20H,21H2,1H3,(H,34,37)/b33-19+
InChIKey
BSPRRTFOIVGTKG-HNSNBQBZSA-N
Compound name
2-[(4-chlorophenyl)methoxy]-N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.1666 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.17388 231.6
[M+Na]+ 543.15582 249.5
[M+NH4]+ 538.20042 238.5
[M+K]+ 559.12976 239.4
[M-H]- 519.15932 242.5
[M+Na-2H]- 541.14127 244.9
[M]+ 520.16605 237.7
[M]- 520.16715 237.7
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.