CID 169529

Einecs 251-612-1

Structural Information

Molecular Formula
C20H20N5
SMILES
CC1=CC(=[N+](N1C)C2=CC=CC=C2)N=NC3=C(NC4=CC=CC=C43)C
InChI
InChI=1S/C20H19N5/c1-14-13-19(25(24(14)3)16-9-5-4-6-10-16)22-23-20-15(2)21-18-12-8-7-11-17(18)20/h4-13H,1-3H3/p+1
InChIKey
KSGMHANFMFUMMK-UHFFFAOYSA-O
Compound name
(1,5-dimethyl-2-phenylpyrazol-2-ium-3-yl)-(2-methyl-1H-indol-3-yl)diazene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

330.17188 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.17916 176.6
[M+Na]+ 353.16110 194.3
[M+NH4]+ 348.20570 185.9
[M+K]+ 369.13504 189.6
[M-H]- 329.16460 185.2
[M+Na-2H]- 351.14655 187.8
[M]+ 330.17133 182.0
[M]- 330.17243 182.0
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

patents stripe