CID 146683632

Tjipanazole a1

Structural Information

Molecular Formula
C24H20Cl2N2O4
SMILES
C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C3=C(C=C(C=C3)Cl)C4=C2C5=C(C=C4)C6=C(N5)C=CC(=C6)Cl)O)O)O
InChI
InChI=1S/C24H20Cl2N2O4/c1-10-21(29)22(30)23(31)24(32-10)28-18-7-3-12(26)9-16(18)14-5-4-13-15-8-11(25)2-6-17(15)27-19(13)20(14)28/h2-10,21-24,27,29-31H,1H3/t10-,21-,22+,23-,24-/m1/s1
InChIKey
FDYWPCLQYXMCJD-XJZYXNLRSA-N
Compound name
(2R,3R,4S,5S,6R)-2-(3,8-dichloro-11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.08002 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.08730 208.1
[M+Na]+ 493.06924 222.1
[M-H]- 469.07274 213.4
[M+NH4]+ 488.11384 219.8
[M+K]+ 509.04318 214.0
[M+H-H2O]+ 453.07728 202.1
[M+HCOO]- 515.07822 210.6
[M+CH3COO]- 529.09387 216.9
[M+Na-2H]- 491.05469 206.6
[M]+ 470.07947 215.5
[M]- 470.08057 215.5
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.