CID 170456

41025-67-6

Structural Information

Molecular Formula
C19H19N6
SMILES
CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)N=NC4=[N+](C=NN4C)C
InChI
InChI=1S/C19H19N6/c1-23-13-20-25(3)19(23)22-21-17-15-11-7-8-12-16(15)24(2)18(17)14-9-5-4-6-10-14/h4-13H,1-3H3/q+1
InChIKey
AGBIVDKJDLGDPO-UHFFFAOYSA-N
Compound name
(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)-(1-methyl-2-phenylindol-3-yl)diazene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

132
Patents

331.1671 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.17438 180.5
[M+Na]+ 354.15632 191.8
[M-H]- 330.15982 190.8
[M+NH4]+ 349.20092 194.4
[M+K]+ 370.13026 180.5
[M+H-H2O]+ 314.16436 171.5
[M+HCOO]- 376.16530 206.6
[M+CH3COO]- 390.18095 213.4
[M+Na-2H]- 352.14177 187.2
[M]+ 331.16655 184.8
[M]- 331.16765 184.8
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