CID 3073355

2-cyclopropylamino-4-methyl-6-(8-oxa-3-azabicyclo(3.2.1)oct-3-yl)-1,3,5-triazine hydrochloride

Structural Information

Molecular Formula
C13H19N5O
SMILES
CC1=NC(=NC(=N1)N2CC3CCC(C2)O3)NC4CC4
InChI
InChI=1S/C13H19N5O/c1-8-14-12(16-9-2-3-9)17-13(15-8)18-6-10-4-5-11(7-18)19-10/h9-11H,2-7H2,1H3,(H,14,15,16,17)
InChIKey
ZPBGGHCKTPAUKN-UHFFFAOYSA-N
Compound name
N-cyclopropyl-4-methyl-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

4
Patents

261.15897 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.166246 171.1
[M+Na]+ 284.148188 179.9
[M-H]- 260.151694 175.4
[M+NH4]+ 279.192793 179.3
[M+K]+ 300.122128 175.1
[M+H-H2O]+ 244.156230 160.9
[M+HCOO]- 306.157171 185.6
[M+CH3COO]- 320.172821 180.3
[M+Na-2H]- 282.133636 174.4
[M]+ 261.15842142 171.0
[M]- 261.15951858 171.0
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

patents stripe