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]+ 437.126276 201.5
[M+Na]+ 459.108218 214.5
[M-H]- 435.111724 207.4
[M+NH4]+ 454.152823 213.8
[M+K]+ 475.082158 206.6
[M+H-H2O]+ 419.116260 195.0
[M+HCOO]- 481.117201 208.9
[M+CH3COO]- 495.132851 210.8
[M+Na-2H]- 457.093666 201.4
[M]+ 436.11845142 207.1
[M]- 436.11954858 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.