CID 6888233

634896-04-1

Structural Information

Molecular Formula
C28H21ClN4O2
SMILES
C1=CC=C2C(=C1)C=CC=C2/C=N/NC(=O)C3=CC(=NN3)C4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl
InChI
InChI=1S/C28H21ClN4O2/c29-23-12-8-19(9-13-23)18-35-24-14-10-21(11-15-24)26-16-27(32-31-26)28(34)33-30-17-22-6-3-5-20-4-1-2-7-25(20)22/h1-17H,18H2,(H,31,32)(H,33,34)/b30-17+
InChIKey
JVFLAYVPPUVJTD-OCSSWDANSA-N
Compound name
3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.1353 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.14258 218.4
[M+Na]+ 503.12452 236.1
[M+NH4]+ 498.16912 225.7
[M+K]+ 519.09846 226.5
[M-H]- 479.12802 227.6
[M+Na-2H]- 501.10997 230.5
[M]+ 480.13475 224.0
[M]- 480.13585 224.0
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.