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
3
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]+ 332.174376 180.5
[M+Na]+ 354.156318 191.8
[M-H]- 330.159824 190.8
[M+NH4]+ 349.200923 194.4
[M+K]+ 370.130258 180.5
[M+H-H2O]+ 314.164360 171.5
[M+HCOO]- 376.165301 206.6
[M+CH3COO]- 390.180951 213.4
[M+Na-2H]- 352.141766 187.2
[M]+ 331.16655142 184.8
[M]- 331.16764858 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