CID 3073367

4-piperidinol, 1-(4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl)-

Structural Information

Molecular Formula
C14H23N5O
SMILES
CCCC1=NC(=NC(=N1)N2CCC(CC2)O)NC3CC3
InChI
InChI=1S/C14H23N5O/c1-2-3-12-16-13(15-10-4-5-10)18-14(17-12)19-8-6-11(20)7-9-19/h10-11,20H,2-9H2,1H3,(H,15,16,17,18)
InChIKey
OCADGCCKLKOBMI-UHFFFAOYSA-N
Compound name
1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.19025 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19753 177.7
[M+Na]+ 300.17947 184.8
[M-H]- 276.18297 180.5
[M+NH4]+ 295.22407 182.8
[M+K]+ 316.15341 178.3
[M+H-H2O]+ 260.18751 167.0
[M+HCOO]- 322.18845 193.0
[M+CH3COO]- 336.20410 185.5
[M+Na-2H]- 298.16492 180.0
[M]+ 277.18970 175.5
[M]- 277.19080 175.5
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.