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]+ 276.18190 175.1
[M+Na]+ 298.16384 183.5
[M-H]- 274.16734 179.2
[M+NH4]+ 293.20844 182.8
[M+K]+ 314.13778 178.4
[M+H-H2O]+ 258.17188 164.7
[M+HCOO]- 320.17282 189.2
[M+CH3COO]- 334.18847 183.9
[M+Na-2H]- 296.14929 177.9
[M]+ 275.17407 175.3
[M]- 275.17517 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.