CID 178421

137908-78-2

Structural Information

Molecular Formula
C23H30NO7
SMILES
C[N+](C)(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI
InChI=1S/C23H29NO7/c1-24(2,22-19(27)17(25)18(26)21(31-22)23(28)29)13-14-30-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-22,25-27H,13-14H2,1-2H3/p+1/t17-,18-,19+,21-,22+/m0/s1
InChIKey
OAIGZXXQYIJBLR-WJJPVSRMSA-O
Compound name
2-benzhydryloxyethyl-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

432.20224 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.20952 201.4
[M+Na]+ 455.19146 202.2
[M-H]- 431.19496 206.9
[M+NH4]+ 450.23606 206.2
[M+K]+ 471.16540 195.2
[M+H-H2O]+ 415.19950 195.0
[M+HCOO]- 477.20044 212.5
[M+CH3COO]- 491.21609 218.2
[M+Na-2H]- 453.17691 203.6
[M]+ 432.20169 198.5
[M]- 432.20279 198.5
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.