CID 39425

Difenzoquat

Structural Information

Molecular Formula
C17H17N2
SMILES
CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H17N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13H,1-2H3/q+1
InChIKey
LBGPXIPGGRQBJW-UHFFFAOYSA-N
Compound name
1,2-dimethyl-3,5-diphenylpyrazol-1-ium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

30
References

24858
Patents

249.13918 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14646 157.0
[M+Na]+ 272.12840 176.1
[M+NH4]+ 267.17300 167.6
[M+K]+ 288.10234 169.1
[M-H]- 248.13190 165.2
[M+Na-2H]- 270.11385 169.7
[M]+ 249.13863 162.7
[M]- 249.13973 162.7
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