CID 2318060

Benzyl({[3-(4-chlorophenyl)-1-phenyl-1h-pyrazol-4-yl]methylidene})amine

Structural Information

Molecular Formula
C23H18ClN3
SMILES
C1=CC=C(C=C1)CN=CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C23H18ClN3/c24-21-13-11-19(12-14-21)23-20(16-25-15-18-7-3-1-4-8-18)17-27(26-23)22-9-5-2-6-10-22/h1-14,16-17H,15H2
InChIKey
SJWHPZRCNIPSGA-UHFFFAOYSA-N
Compound name
N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.11893 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.126206 190.9
[M+Na]+ 394.108148 199.5
[M-H]- 370.111654 201.8
[M+NH4]+ 389.152753 202.5
[M+K]+ 410.082088 190.4
[M+H-H2O]+ 354.116190 178.7
[M+HCOO]- 416.117131 210.5
[M+CH3COO]- 430.132781 201.2
[M+Na-2H]- 392.093596 193.8
[M]+ 371.11838142 193.2
[M]- 371.11947858 193.2
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.