CID 9567673

1h-indole-3-carboxaldehyde, 2,5,6-trichloro-1-b-d-ribofuranosyl-, (aminocarbonyl)hydrazone

Structural Information

Molecular Formula
C15H15Cl3N4O5
SMILES
C1=C2C(=CC(=C1Cl)Cl)N(C(=C2/C=N/NC(=O)N)Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C15H15Cl3N4O5/c16-7-1-5-6(3-20-21-15(19)26)13(18)22(9(5)2-8(7)17)14-12(25)11(24)10(4-23)27-14/h1-3,10-12,14,23-25H,4H2,(H3,19,21,26)/b20-3+/t10-,11-,12-,14-/m1/s1
InChIKey
ZIMFOVRECXJPIO-IMWZBCAKSA-N
Compound name
[(E)-[2,5,6-trichloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]indol-3-yl]methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.0108 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.01808 198.7
[M+Na]+ 459.00002 208.5
[M-H]- 435.00352 202.9
[M+NH4]+ 454.04462 210.2
[M+K]+ 474.97396 203.2
[M+H-H2O]+ 419.00806 194.7
[M+HCOO]- 481.00900 204.9
[M+CH3COO]- 495.02465 227.5
[M+Na-2H]- 456.98547 195.2
[M]+ 436.01025 203.3
[M]- 436.01135 203.3
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.