CID 41565

Brn 0771319

Structural Information

Molecular Formula
C27H47N3O6
SMILES
CCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C27H47N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(32)28-22-18-19-30(27(35)29-22)26-25(34)24(33)21(20-31)36-26/h18-19,21,24-26,31,33-34H,2-17,20H2,1H3,(H,28,29,32,35)/t21-,24-,25+,26-/m1/s1
InChIKey
ATYCGJJMRABBKG-ATPOPXNDSA-N
Compound name
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

509.3465 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.35378 231.9
[M+Na]+ 532.33572 236.7
[M+NH4]+ 527.38032 232.1
[M+K]+ 548.30966 233.9
[M-H]- 508.33922 231.0
[M+Na-2H]- 530.32117 228.5
[M]+ 509.34595 231.5
[M]- 509.34705 231.5
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