CID 5271274

N^4-hexanoyl-mmdcyd

Structural Information

Molecular Formula
C18H29N3O5
SMILES
CCCCCC(=O)NC1=NC(=O)N(C=C1COC)[C@@H]2C[C@@H]([C@H](C2)O)CO
InChI
InChI=1S/C18H29N3O5/c1-3-4-5-6-16(24)19-17-13(11-26-2)9-21(18(25)20-17)14-7-12(10-22)15(23)8-14/h9,12,14-15,22-23H,3-8,10-11H2,1-2H3,(H,19,20,24,25)/t12-,14-,15+/m1/s1
InChIKey
YLNZGXYWJYFRDQ-YUELXQCFSA-N
Compound name
N-[1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(methoxymethyl)-2-oxopyrimidin-4-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.21072 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.21800 187.5
[M+Na]+ 390.19994 192.5
[M-H]- 366.20344 188.8
[M+NH4]+ 385.24454 197.6
[M+K]+ 406.17388 188.8
[M+H-H2O]+ 350.20798 178.9
[M+HCOO]- 412.20892 204.1
[M+CH3COO]- 426.22457 215.6
[M+Na-2H]- 388.18539 184.4
[M]+ 367.21017 189.5
[M]- 367.21127 189.5
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

No patent data available for this compound.