CID 448293

Fmd

Structural Information

Molecular Formula
C20H20FN3O4
SMILES
C[C@H]([C@@H]([C@@H](C#CC1=C(C=CC2=NC(=O)C(=C21)CC3=C(C=CN3)OC)F)O)N)O
InChI
InChI=1S/C20H20FN3O4/c1-10(25)19(22)16(26)6-3-11-13(21)4-5-14-18(11)12(20(27)24-14)9-15-17(28-2)7-8-23-15/h4-5,7-8,10,16,19,23,25-26H,9,22H2,1-2H3/t10-,16-,19+/m1/s1
InChIKey
UVGFVWIKOUZUOB-ZJEXCSKESA-N
Compound name
4-[(3R,4S,5R)-4-amino-3,5-dihydroxyhex-1-ynyl]-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methyl]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1438 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.15108 194.3
[M+Na]+ 408.13302 203.4
[M-H]- 384.13652 192.3
[M+NH4]+ 403.17762 203.5
[M+K]+ 424.10696 196.0
[M+H-H2O]+ 368.14106 179.6
[M+HCOO]- 430.14200 203.9
[M+CH3COO]- 444.15765 220.6
[M+Na-2H]- 406.11847 187.9
[M]+ 385.14325 188.3
[M]- 385.14435 188.3
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.