CID 5272999

1h-indole-3-carboxaldehyde, 2,5,6-trichloro-1-(5,6-dideoxy-b-d-ribo-hexofuranosyl)-

Structural Information

Molecular Formula
C15H14Cl3NO4
SMILES
CC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=CC(=C(C=C3C(=C2Cl)C=O)Cl)Cl)O)O
InChI
InChI=1S/C15H14Cl3NO4/c1-2-11-12(21)13(22)15(23-11)19-10-4-9(17)8(16)3-6(10)7(5-20)14(19)18/h3-5,11-13,15,21-22H,2H2,1H3/t11-,12-,13-,15-/m1/s1
InChIKey
UJQJSFAWAIBVDD-RGCMKSIDSA-N
Compound name
2,5,6-trichloro-1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.99884 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.00612 183.2
[M+Na]+ 399.98806 196.2
[M-H]- 375.99156 187.5
[M+NH4]+ 395.03266 198.5
[M+K]+ 415.96200 189.8
[M+H-H2O]+ 359.99610 179.7
[M+HCOO]- 421.99704 187.3
[M+CH3COO]- 436.01269 211.0
[M+Na-2H]- 397.97351 179.6
[M]+ 376.99829 190.2
[M]- 376.99939 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.