CID 44152124

73384-93-7

Structural Information

Molecular Formula
C18H20N6
SMILES
CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=NN=CN3C
InChI
InChI=1S/C18H20N6/c1-3-24(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-22-18-21-19-14-23(18)2/h4-12,14H,3,13H2,1-2H3
InChIKey
UBISIGMQVNVVBQ-UHFFFAOYSA-N
Compound name
N-benzyl-N-ethyl-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

320.17496 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.182236 175.3
[M+Na]+ 343.164178 181.8
[M-H]- 319.167684 185.1
[M+NH4]+ 338.208783 187.8
[M+K]+ 359.138118 178.1
[M+H-H2O]+ 303.172220 162.6
[M+HCOO]- 365.173161 203.1
[M+CH3COO]- 379.188811 186.6
[M+Na-2H]- 341.149626 181.6
[M]+ 320.17441142 178.3
[M]- 320.17550858 178.3
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