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

5
Patents

261.15897 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16625 171.1
[M+Na]+ 284.14819 179.9
[M-H]- 260.15169 175.4
[M+NH4]+ 279.19279 179.3
[M+K]+ 300.12213 175.1
[M+H-H2O]+ 244.15623 160.9
[M+HCOO]- 306.15717 185.6
[M+CH3COO]- 320.17282 180.3
[M+Na-2H]- 282.13364 174.4
[M]+ 261.15842 171.0
[M]- 261.15952 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