CID 122546756

Trk-750

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 168.2
[M+Na]+ 303.17912 172.0
[M-H]- 279.18262 170.3
[M+NH4]+ 298.22372 181.2
[M+K]+ 319.15306 170.5
[M+H-H2O]+ 263.18716 158.8
[M+HCOO]- 325.18810 183.8
[M+CH3COO]- 339.20375 203.6
[M+Na-2H]- 301.16457 166.4
[M]+ 280.18935 165.7
[M]- 280.19045 165.7
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