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]+ 261.207376 165.4
[M+Na]+ 283.189318 170.4
[M-H]- 259.192824 167.1
[M+NH4]+ 278.233923 177.7
[M+K]+ 299.163258 166.3
[M+H-H2O]+ 243.197360 155.1
[M+HCOO]- 305.198301 182.6
[M+CH3COO]- 319.213951 201.8
[M+Na-2H]- 281.174766 168.9
[M]+ 260.19955142 163.0
[M]- 260.20064858 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.