CID 91569

Basic red 22

Structural Information

Molecular Formula
C12H17N6
SMILES
CN1C(=[N+](C=N1)C)N=NC2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C12H17N6/c1-16(2)11-7-5-10(6-8-11)14-15-12-17(3)9-13-18(12)4/h5-9H,1-4H3/q+1
InChIKey
PMJXPPBTJCUKGB-UHFFFAOYSA-N
Compound name
4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

2283
Patents

245.15147 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.15875 155.0
[M+Na]+ 268.14069 163.7
[M-H]- 244.14419 163.0
[M+NH4]+ 263.18529 171.3
[M+K]+ 284.11463 156.8
[M+H-H2O]+ 228.14873 147.2
[M+HCOO]- 290.14967 183.3
[M+CH3COO]- 304.16532 202.4
[M+Na-2H]- 266.12614 163.9
[M]+ 245.15092 157.6
[M]- 245.15202 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe