CID 146683638

Tjipanazole g1

Structural Information

Molecular Formula
C24H22N2O4
SMILES
C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C3=CC=CC=C3C4=C2C5=C(C=C4)C6=CC=CC=C6N5)O)O)O
InChI
InChI=1S/C24H22N2O4/c1-12-21(27)22(28)23(29)24(30-12)26-18-9-5-3-7-14(18)16-11-10-15-13-6-2-4-8-17(13)25-19(15)20(16)26/h2-12,21-25,27-29H,1H3/t12-,21-,22+,23-,24-/m1/s1
InChIKey
WAYQLPDVCJWOAA-HMEBCMRKSA-N
Compound name
(2R,3R,4S,5S,6R)-2-(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

402.15796 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.165236 193.0
[M+Na]+ 425.147178 204.5
[M-H]- 401.150684 198.8
[M+NH4]+ 420.191783 205.5
[M+K]+ 441.121118 197.4
[M+H-H2O]+ 385.155220 185.9
[M+HCOO]- 447.156161 205.0
[M+CH3COO]- 461.171811 202.5
[M+Na-2H]- 423.132626 194.2
[M]+ 402.15741142 195.8
[M]- 402.15850858 195.8
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.