CID 122546756

Trk750

Structural Information

Molecular Formula
C14H24N4O2
SMILES
CN1C=CN=C1[C@H](CC(=O)N2CCC(CC2)N(C)C)O
InChI
InChI=1S/C14H24N4O2/c1-16(2)11-4-7-18(8-5-11)13(20)10-12(19)14-15-6-9-17(14)3/h6,9,11-12,19H,4-5,7-8,10H2,1-3H3/t12-/m0/s1
InChIKey
QUTKDCYSTKFFEU-LBPRGKRZSA-N
Compound name
(3S)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxy-3-(1-methylimidazol-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

280.1899 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.19718 167.2
[M+Na]+ 303.17912 175.1
[M+NH4]+ 298.22372 172.5
[M+K]+ 319.15306 173.5
[M-H]- 279.18262 167.7
[M+Na-2H]- 301.16457 170.2
[M]+ 280.18935 167.9
[M]- 280.19045 167.9
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