CID 118753170

L2g941zw3f

Structural Information

Molecular Formula
C26H27N3O10S
SMILES
CN1C2=C(C=CC(=C2)OC)N=C1COC3=CC=C(C=C3)CC4C(=O)N(C(=O)S4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
InChI
InChI=1S/C26H27N3O10S/c1-28-16-10-14(37-2)7-8-15(16)27-18(28)11-38-13-5-3-12(4-6-13)9-17-23(33)29(26(36)40-17)24-21(32)19(30)20(31)22(39-24)25(34)35/h3-8,10,17,19-22,24,30-32H,9,11H2,1-2H3,(H,34,35)/t17?,19-,20-,21+,22-,24+/m0/s1
InChIKey
WASSWJLBZXXADR-IIDLBEAPSA-N
Compound name
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[5-[[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

573.1417 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.14898 228.1
[M+Na]+ 596.13092 233.5
[M-H]- 572.13442 235.2
[M+NH4]+ 591.17552 228.7
[M+K]+ 612.10486 231.6
[M+H-H2O]+ 556.13896 221.4
[M+HCOO]- 618.13990 232.1
[M+CH3COO]- 632.15555 248.2
[M+Na-2H]- 594.11637 220.1
[M]+ 573.14115 234.7
[M]- 573.14225 234.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.