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
2
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]+ 307.166576 169.2
[M+Na]+ 329.148518 174.9
[M-H]- 305.152024 177.5
[M+NH4]+ 324.193123 181.3
[M+K]+ 345.122458 170.6
[M+H-H2O]+ 289.156560 156.8
[M+HCOO]- 351.157501 196.0
[M+CH3COO]- 365.173151 180.1
[M+Na-2H]- 327.133966 176.6
[M]+ 306.15875142 169.7
[M]- 306.15984858 169.7
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.