CID 472889

1-[(5s)-2,2-dimethyl-5-(2-phenyltriazol-4-yl)-1,3-dioxolan-4-yl]-2-(1-piperidyl)ethanol

Structural Information

Molecular Formula
C20H28N4O3
SMILES
CC1(O[C@H](C(O1)C(CN2CCCCC2)O)C3=NN(N=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C20H28N4O3/c1-20(2)26-18(16-13-21-24(22-16)15-9-5-3-6-10-15)19(27-20)17(25)14-23-11-7-4-8-12-23/h3,5-6,9-10,13,17-19,25H,4,7-8,11-12,14H2,1-2H3/t17?,18-,19?/m0/s1
InChIKey
FGGZXSQZIQOZJJ-XBMUEBEBSA-N
Compound name
1-[(5S)-2,2-dimethyl-5-(2-phenyltriazol-4-yl)-1,3-dioxolan-4-yl]-2-piperidin-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.21616 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.22344 188.2
[M+Na]+ 395.20538 192.3
[M-H]- 371.20888 195.1
[M+NH4]+ 390.24998 196.1
[M+K]+ 411.17932 190.4
[M+H-H2O]+ 355.21342 177.5
[M+HCOO]- 417.21436 198.5
[M+CH3COO]- 431.23001 196.0
[M+Na-2H]- 393.19083 184.8
[M]+ 372.21561 185.3
[M]- 372.21671 185.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.