CID 452803

2'octach2imino-dt

Structural Information

Molecular Formula
C18H29N3O4
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2[C@H](C[C@@H](O2)CO)N3CCCCCCCC3
InChI
InChI=1S/C18H29N3O4/c1-13-11-21(18(24)19-16(13)23)17-15(10-14(12-22)25-17)20-8-6-4-2-3-5-7-9-20/h11,14-15,17,22H,2-10,12H2,1H3,(H,19,23,24)/t14-,15+,17+/m1/s1
InChIKey
FOHCIKXARZHCRM-VYDXJSESSA-N
Compound name
1-[(2S,3S,5R)-3-(azonan-1-yl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.21582 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22310 206.0
[M+Na]+ 374.20504 205.2
[M-H]- 350.20854 204.8
[M+NH4]+ 369.24964 205.0
[M+K]+ 390.17898 203.9
[M+H-H2O]+ 334.21308 196.1
[M+HCOO]- 396.21402 205.4
[M+CH3COO]- 410.22967 205.8
[M+Na-2H]- 372.19049 206.2
[M]+ 351.21527 205.0
[M]- 351.21637 205.0
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.