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 229.2
[M+Na]+ 543.15582 235.4
[M-H]- 519.15932 242.9
[M+NH4]+ 538.20042 233.6
[M+K]+ 559.12976 226.4
[M+H-H2O]+ 503.16386 214.8
[M+HCOO]- 565.16480 247.4
[M+CH3COO]- 579.18045 236.3
[M+Na-2H]- 541.14127 228.6
[M]+ 520.16605 232.9
[M]- 520.16715 232.9
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.