CID 106611

Ns00060285

Structural Information

Molecular Formula
C13H18N6
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=NC=NN2C
InChI
InChI=1S/C13H18N6/c1-4-19(5-2)12-8-6-11(7-9-12)16-17-13-14-10-15-18(13)3/h6-10H,4-5H2,1-3H3
InChIKey
QAARMQJKTHDWAA-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[(2-methyl-1,2,4-triazol-3-yl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.1593 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.166576 159.5
[M+Na]+ 281.148518 167.1
[M-H]- 257.152024 166.7
[M+NH4]+ 276.193123 175.3
[M+K]+ 297.122458 165.5
[M+H-H2O]+ 241.156560 148.4
[M+HCOO]- 303.157501 187.9
[M+CH3COO]- 317.173151 211.1
[M+Na-2H]- 279.133966 166.0
[M]+ 258.15875142 163.5
[M]- 258.15984858 163.5
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

No patent data available for this compound.