CID 10832603

78824-46-1

Structural Information

Molecular Formula

SMILES

CCCCCCCCC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O

InChI

InChI=1S/C19H28N2O5/c1-2-3-4-5-6-7-8-9-10-14-12-21(19(25)20-18(14)24)17-11-15(23)16(13-22)26-17/h12,15-17,22-23H,2-8,11,13H2,1H3,(H,20,24,25)/t15-,16+,17+/m0/s1

InChIKey

CXQLEVUWAFTOOE-GVDBMIGSSA-N

Compound name

5-dec-1-ynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Related CIDs

2D Structure

1
Annotation Hits: 1
References: 31
Patents: 364.19983 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	365.20711	182.5
[M+Na]+	387.18905	190.5
[M-H]-	363.19255	180.6
[M+NH4]+	382.23365	189.8
[M+K]+	403.16299	184.6
[M+H-H2O]+	347.19709	168.0
[M+HCOO]-	409.19803	191.2
[M+CH3COO]-	423.21368	213.3
[M+Na-2H]-	385.17450	179.1
[M]+	364.19928	178.3
[M]-	364.20038	178.3

Literature stripe

Patent stripe