CID 146683635

Tjipanazole c2

Structural Information

Molecular Formula
C24H21ClN2O4
SMILES
C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C3=CC=CC=C3C4=C2C5=C(C=C4)C6=C(N5)C=CC(=C6)Cl)O)O)O
InChI
InChI=1S/C24H21ClN2O4/c1-11-21(28)22(29)23(30)24(31-11)27-18-5-3-2-4-13(18)15-8-7-14-16-10-12(25)6-9-17(16)26-19(14)20(15)27/h2-11,21-24,26,28-30H,1H3/t11-,21-,22+,23-,24-/m1/s1
InChIKey
XRSXGTRHWJQWIW-ISBJQNSRSA-N
Compound name
(2R,3R,4S,5S,6R)-2-(3-chloro-12H-indolo[2,3-a]carbazol-11-yl)-6-methyloxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.119 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.12628 201.5
[M+Na]+ 459.10822 214.5
[M-H]- 435.11172 207.4
[M+NH4]+ 454.15282 213.8
[M+K]+ 475.08216 206.6
[M+H-H2O]+ 419.11626 195.0
[M+HCOO]- 481.11720 208.9
[M+CH3COO]- 495.13285 210.8
[M+Na-2H]- 457.09367 201.4
[M]+ 436.11845 207.1
[M]- 436.11955 207.1
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.