CID 3008700

Chembl548025

Structural Information

Molecular Formula
C16H19N5O
SMILES
CCC1N=C(N=C(N1OCC2=CC=CC3=CC=CC=C32)N)N
InChI
InChI=1S/C16H19N5O/c1-2-14-19-15(17)20-16(18)21(14)22-10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9,14H,2,10H2,1H3,(H4,17,18,19,20)
InChIKey
UNGFJTPVJLOOMR-UHFFFAOYSA-N
Compound name
2-ethyl-1-(naphthalen-1-ylmethoxy)-2H-1,3,5-triazine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.15897 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16625 171.8
[M+Na]+ 320.14819 179.9
[M-H]- 296.15169 174.6
[M+NH4]+ 315.19279 183.1
[M+K]+ 336.12213 174.0
[M+H-H2O]+ 280.15623 161.3
[M+HCOO]- 342.15717 190.7
[M+CH3COO]- 356.17282 181.5
[M+Na-2H]- 318.13364 177.3
[M]+ 297.15842 170.1
[M]- 297.15952 170.1
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.