CID 6888507

634896-28-9

Structural Information

Molecular Formula
C26H21ClN4O2
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H21ClN4O2/c27-22-12-8-20(9-13-22)18-33-23-14-10-21(11-15-23)24-17-25(30-29-24)26(32)31-28-16-4-7-19-5-2-1-3-6-19/h1-17H,18H2,(H,29,30)(H,31,32)/b7-4+,28-16+
InChIKey
QFRWJRDMXXIXDM-ZJTIKOGTSA-N
Compound name
3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.1353 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.14258 210.5
[M+Na]+ 479.12452 216.1
[M-H]- 455.12802 220.0
[M+NH4]+ 474.16912 217.2
[M+K]+ 495.09846 206.8
[M+H-H2O]+ 439.13256 198.0
[M+HCOO]- 501.13350 228.5
[M+CH3COO]- 515.14915 218.0
[M+Na-2H]- 477.10997 211.6
[M]+ 456.13475 212.1
[M]- 456.13585 212.1
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.