CID 438267

Nsc629820

Structural Information

Molecular Formula
C26H41FN6O14
SMILES
CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)CO)O)O)NC(=O)NCCCCCCNC(=O)N3C=C(C(=O)NC3=O)F)O
InChI
InChI=1S/C26H41FN6O14/c1-11(36)30-15-19(39)20(14(10-35)45-22(15)41)47-23-16(18(38)17(37)13(9-34)46-23)31-24(42)28-6-4-2-3-5-7-29-25(43)33-8-12(27)21(40)32-26(33)44/h8,13-20,22-23,34-35,37-39,41H,2-7,9-10H2,1H3,(H,29,43)(H,30,36)(H2,28,31,42)(H,32,40,44)
InChIKey
ZMISONUMECLOFK-UHFFFAOYSA-N
Compound name
N-[6-[[2-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoylamino]hexyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

680.2665 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 681.27378 249.6
[M+Na]+ 703.25572 247.6
[M-H]- 679.25922 242.3
[M+NH4]+ 698.30032 248.2
[M+K]+ 719.22966 245.4
[M+H-H2O]+ 663.26376 236.6
[M+HCOO]- 725.26470 249.7
[M+CH3COO]- 739.28035 253.3
[M+Na-2H]- 701.24117 274.6
[M]+ 680.26595 257.9
[M]- 680.26705 257.9
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.