CID 161100

Einecs 239-043-7

Structural Information

Molecular Formula
C14H22N6
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2N(C=NN2C)C
InChI
InChI=1S/C14H22N6/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-14-18(3)11-15-19(14)4/h7-11,14H,5-6H2,1-4H3
InChIKey
QNLALUUFWRGCOR-UHFFFAOYSA-N
Compound name
4-[(2,4-dimethyl-3H-1,2,4-triazol-3-yl)diazenyl]-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

274.19058 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.19786 166.0
[M+Na]+ 297.17980 173.0
[M-H]- 273.18330 173.0
[M+NH4]+ 292.22440 181.4
[M+K]+ 313.15374 171.4
[M+H-H2O]+ 257.18784 155.0
[M+HCOO]- 319.18878 192.5
[M+CH3COO]- 333.20443 215.6
[M+Na-2H]- 295.16525 170.1
[M]+ 274.19003 169.3
[M]- 274.19113 169.3
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