CID 93107

26903-94-6

Structural Information

Molecular Formula
C12H16N6
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=NC=NN2
InChI
InChI=1S/C12H16N6/c1-3-18(4-2)11-7-5-10(6-8-11)15-17-12-13-9-14-16-12/h5-9H,3-4H2,1-2H3,(H,13,14,16)
InChIKey
KTKFBJWQVDOLMK-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-(1H-1,2,4-triazol-5-yldiazenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

244.14365 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.15093 154.2
[M+Na]+ 267.13287 160.9
[M-H]- 243.13637 159.9
[M+NH4]+ 262.17747 169.6
[M+K]+ 283.10681 158.7
[M+H-H2O]+ 227.14091 143.3
[M+HCOO]- 289.14185 181.5
[M+CH3COO]- 303.15750 204.4
[M+Na-2H]- 265.11832 161.6
[M]+ 244.14310 155.6
[M]- 244.14420 155.6
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