CID 3073357

N-cyclopropyl-4-ethyl-6-(8-oxa-3-azabicyclo(3.2.1)oct-3-yl)-1,3,5-triazin-2-amine hcl

Structural Information

Molecular Formula
C14H21N5O
SMILES
CCC1=NC(=NC(=N1)N2CC3CCC(C2)O3)NC4CC4
InChI
InChI=1S/C14H21N5O/c1-2-12-16-13(15-9-3-4-9)18-14(17-12)19-7-10-5-6-11(8-19)20-10/h9-11H,2-8H2,1H3,(H,15,16,17,18)
InChIKey
YQRSMPZOFNCJNU-UHFFFAOYSA-N
Compound name
N-cyclopropyl-4-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.17462 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.181896 175.1
[M+Na]+ 298.163838 183.5
[M-H]- 274.167344 179.2
[M+NH4]+ 293.208443 182.8
[M+K]+ 314.137778 178.4
[M+H-H2O]+ 258.171880 164.7
[M+HCOO]- 320.172821 189.2
[M+CH3COO]- 334.188471 183.9
[M+Na-2H]- 296.149286 177.9
[M]+ 275.17407142 175.3
[M]- 275.17516858 175.3
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

No patent data available for this compound.