CID 11420375

Tjipanazole e

Structural Information

Molecular Formula
C24H20Cl2N2O5
SMILES
C1=CC2=C(C=C1Cl)C3=C(N2)C4=C(C=C3)C5=C(N4[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C=CC(=C5)Cl
InChI
InChI=1S/C24H20Cl2N2O5/c25-10-1-5-16-14(7-10)12-3-4-13-15-8-11(26)2-6-17(15)28(20(13)19(12)27-16)24-23(32)22(31)21(30)18(9-29)33-24/h1-8,18,21-24,27,29-32H,9H2/t18-,21-,22+,23-,24-/m1/s1
InChIKey
SZUVYWLTIGVGME-REXJZNOJSA-N
Compound name
(2R,3R,4S,5S,6R)-2-(3,8-dichloro-11H-indolo[2,3-a]carbazol-12-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.07492 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.08220 208.4
[M+Na]+ 509.06414 221.6
[M-H]- 485.06764 212.6
[M+NH4]+ 504.10874 218.8
[M+K]+ 525.03808 214.0
[M+H-H2O]+ 469.07218 202.9
[M+HCOO]- 531.07312 209.7
[M+CH3COO]- 545.08877 216.5
[M+Na-2H]- 507.04959 207.3
[M]+ 486.07437 215.8
[M]- 486.07547 215.8
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.