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]+ 372.12621 190.9
[M+Na]+ 394.10815 199.5
[M-H]- 370.11165 201.8
[M+NH4]+ 389.15275 202.5
[M+K]+ 410.08209 190.4
[M+H-H2O]+ 354.11619 178.7
[M+HCOO]- 416.11713 210.5
[M+CH3COO]- 430.13278 201.2
[M+Na-2H]- 392.09360 193.8
[M]+ 371.11838 193.2
[M]- 371.11948 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.