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]+ 457.071636 201.9
[M+Na]+ 479.053578 215.7
[M-H]- 455.057084 207.1
[M+NH4]+ 474.098183 214.0
[M+K]+ 495.027518 207.7
[M+H-H2O]+ 439.061620 195.9
[M+HCOO]- 501.062561 204.9
[M+CH3COO]- 515.078211 210.9
[M+Na-2H]- 477.039026 201.8
[M]+ 456.06381142 208.7
[M]- 456.06490858 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.