CID 14228438

73398-74-0

Structural Information

Molecular Formula
C14H21N6
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=[N+](C=NN2C)C
InChI
InChI=1S/C14H21N6/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-14-18(3)11-15-19(14)4/h7-11H,5-6H2,1-4H3/q+1
InChIKey
KEISQIHIJBGCQT-UHFFFAOYSA-N
Compound name
4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

273.18277 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19005 164.2
[M+Na]+ 296.17199 172.0
[M-H]- 272.17549 171.9
[M+NH4]+ 291.21659 179.4
[M+K]+ 312.14593 164.7
[M+H-H2O]+ 256.18003 156.0
[M+HCOO]- 318.18097 191.8
[M+CH3COO]- 332.19662 208.4
[M+Na-2H]- 294.15744 172.0
[M]+ 273.18222 167.5
[M]- 273.18332 167.5
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

patents stripe