CID 656734

Tram-34

Structural Information

Molecular Formula
C22H17ClN2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CC=N4
InChI
InChI=1S/C22H17ClN2/c23-21-15-8-7-14-20(21)22(25-17-9-16-24-25,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17H
InChIKey
KBFUQFVFYYBHBT-UHFFFAOYSA-N
Compound name
1-[(2-chlorophenyl)-diphenylmethyl]pyrazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

243
References

542
Patents

344.10803 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11531 183.0
[M+Na]+ 367.09725 190.6
[M-H]- 343.10075 192.3
[M+NH4]+ 362.14185 194.8
[M+K]+ 383.07119 182.1
[M+H-H2O]+ 327.10529 171.7
[M+HCOO]- 389.10623 198.6
[M+CH3COO]- 403.12188 193.0
[M+Na-2H]- 365.08270 187.6
[M]+ 344.10748 183.1
[M]- 344.10858 183.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe