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]+ 403.16524 193.0
[M+Na]+ 425.14718 204.5
[M-H]- 401.15068 198.8
[M+NH4]+ 420.19178 205.5
[M+K]+ 441.12112 197.4
[M+H-H2O]+ 385.15522 185.9
[M+HCOO]- 447.15616 205.0
[M+CH3COO]- 461.17181 202.5
[M+Na-2H]- 423.13263 194.2
[M]+ 402.15741 195.8
[M]- 402.15851 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.