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]+ 321.18224 175.3
[M+Na]+ 343.16418 181.8
[M-H]- 319.16768 185.1
[M+NH4]+ 338.20878 187.8
[M+K]+ 359.13812 178.1
[M+H-H2O]+ 303.17222 162.6
[M+HCOO]- 365.17316 203.1
[M+CH3COO]- 379.18881 186.6
[M+Na-2H]- 341.14963 181.6
[M]+ 320.17441 178.3
[M]- 320.17551 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