CID 83526

13486-13-0

Structural Information

Molecular Formula
C17H18N6
SMILES
CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=NC=NN3
InChI
InChI=1S/C17H18N6/c1-2-23(12-14-6-4-3-5-7-14)16-10-8-15(9-11-16)20-22-17-18-13-19-21-17/h3-11,13H,2,12H2,1H3,(H,18,19,21)
InChIKey
CAAQCABQPNOOQQ-UHFFFAOYSA-N
Compound name
N-benzyl-N-ethyl-4-(1H-1,2,4-triazol-5-yldiazenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1593 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.16658 171.4
[M+Na]+ 329.14852 184.2
[M+NH4]+ 324.19312 178.6
[M+K]+ 345.12246 178.2
[M-H]- 305.15202 178.0
[M+Na-2H]- 327.13397 182.9
[M]+ 306.15875 174.9
[M]- 306.15985 174.9
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.