CID 174392

1h-1,2,4-triazolium, 1,4-dimethyl-5-((2-phenyl-1h-indol-3-yl)azo)-, chloride

Structural Information

Molecular Formula
C18H18N6
SMILES
CN1C=NN(C1N=NC2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C
InChI
InChI=1S/C18H18N6/c1-23-12-19-24(2)18(23)22-21-17-14-10-6-7-11-15(14)20-16(17)13-8-4-3-5-9-13/h3-12,18,20H,1-2H3
InChIKey
WDARMMHWSGJKQZ-UHFFFAOYSA-N
Compound name
(2,4-dimethyl-3H-1,2,4-triazol-3-yl)-(2-phenyl-1H-indol-3-yl)diazene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

318.1593 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16658 173.7
[M+Na]+ 341.14852 183.7
[M-H]- 317.15202 182.0
[M+NH4]+ 336.19312 187.5
[M+K]+ 357.12246 177.4
[M+H-H2O]+ 301.15656 162.5
[M+HCOO]- 363.15750 197.8
[M+CH3COO]- 377.17315 185.3
[M+Na-2H]- 339.13397 177.8
[M]+ 318.15875 175.5
[M]- 318.15985 175.5
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.