CID 11340058

Tjipanazole b

Structural Information

Molecular Formula
C23H18Cl2N2O4
SMILES
C1[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/C23H18Cl2N2O4/c24-10-1-5-16-14(7-10)12-3-4-13-15-8-11(25)2-6-17(15)27(20(13)19(12)26-16)23-22(30)21(29)18(28)9-31-23/h1-8,18,21-23,26,28-30H,9H2/t18-,21+,22-,23-/m1/s1
InChIKey
JEOAJYYDZYNEAH-YJSIEXFISA-N
Compound name
(2R,3R,4S,5R)-2-(3,8-dichloro-11H-indolo[2,3-a]carbazol-12-yl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.06436 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.07164 201.9
[M+Na]+ 479.05358 215.7
[M-H]- 455.05708 207.1
[M+NH4]+ 474.09818 214.0
[M+K]+ 495.02752 207.7
[M+H-H2O]+ 439.06162 195.9
[M+HCOO]- 501.06256 204.9
[M+CH3COO]- 515.07821 210.9
[M+Na-2H]- 477.03903 201.8
[M]+ 456.06381 208.7
[M]- 456.06491 208.7
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.