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 180.6
[M+Na]+ 353.16110 191.0
[M-H]- 329.16460 190.8
[M+NH4]+ 348.20570 195.2
[M+K]+ 369.13504 179.0
[M+H-H2O]+ 313.16914 172.6
[M+HCOO]- 375.17008 206.3
[M+CH3COO]- 389.18573 211.0
[M+Na-2H]- 351.14655 186.5
[M]+ 330.17133 183.0
[M]- 330.17243 183.0
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