CID 53463054

Diphenhydramine_met013

Structural Information

Molecular Formula
C23H30NO7
SMILES
C[N+](C)(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)C3C(C(C(C(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
InChIKey
OAIGZXXQYIJBLR-UHFFFAOYSA-O
Compound name
2-benzhydryloxyethyl-(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]+ 433.209516 201.4
[M+Na]+ 455.191458 202.2
[M-H]- 431.194964 206.9
[M+NH4]+ 450.236063 206.2
[M+K]+ 471.165398 195.2
[M+H-H2O]+ 415.199500 195.0
[M+HCOO]- 477.200441 212.5
[M+CH3COO]- 491.216091 218.2
[M+Na-2H]- 453.176906 203.6
[M]+ 432.20169142 198.5
[M]- 432.20278858 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

literature stripe

Patent stripe

No patent data available for this compound.