CID 6888714

634897-20-4

Structural Information

Molecular Formula
C24H19ClN4O2
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCC4=CC=CC=C4Cl
InChI
InChI=1S/C24H19ClN4O2/c25-21-9-5-4-8-19(21)16-31-20-12-10-18(11-13-20)22-14-23(28-27-22)24(30)29-26-15-17-6-2-1-3-7-17/h1-15H,16H2,(H,27,28)(H,29,30)/b26-15+
InChIKey
VBRQOZLMGGUXDF-CVKSISIWSA-N
Compound name
N-[(E)-benzylideneamino]-3-[4-[(2-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.11966 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.12694 201.9
[M+Na]+ 453.10888 208.1
[M-H]- 429.11238 211.7
[M+NH4]+ 448.15348 209.8
[M+K]+ 469.08282 199.8
[M+H-H2O]+ 413.11692 189.8
[M+HCOO]- 475.11786 220.5
[M+CH3COO]- 489.13351 210.3
[M+Na-2H]- 451.09433 204.1
[M]+ 430.11911 203.7
[M]- 430.12021 203.7
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.