CID 201984

Brn 0669165

Structural Information

Molecular Formula
C15H24N4
SMILES
CCN(CC)CC1=NC(CN(N1)C)C2=CC=CC=C2
InChI
InChI=1S/C15H24N4/c1-4-19(5-2)12-15-16-14(11-18(3)17-15)13-9-7-6-8-10-13/h6-10,14H,4-5,11-12H2,1-3H3,(H,16,17)
InChIKey
WDCAIRFBJRJAEY-UHFFFAOYSA-N
Compound name
N-ethyl-N-[(1-methyl-5-phenyl-5,6-dihydro-2H-1,2,4-triazin-3-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.2001 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.20738 165.4
[M+Na]+ 283.18932 170.4
[M-H]- 259.19282 167.1
[M+NH4]+ 278.23392 177.7
[M+K]+ 299.16326 166.3
[M+H-H2O]+ 243.19736 155.1
[M+HCOO]- 305.19830 182.6
[M+CH3COO]- 319.21395 201.8
[M+Na-2H]- 281.17477 168.9
[M]+ 260.19955 163.0
[M]- 260.20065 163.0
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.