CID 197985

Linadryl h

Structural Information

Molecular Formula
C20H25NO2
SMILES
C1CN(CCOC1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H25NO2/c1-3-8-18(9-4-1)20(19-10-5-2-6-11-19)23-17-14-21-12-7-15-22-16-13-21/h1-6,8-11,20H,7,12-17H2
InChIKey
TZJTVQRBDZCQFU-UHFFFAOYSA-N
Compound name
4-(2-benzhydryloxyethyl)-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.18854 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 180.1
[M+Na]+ 334.17776 191.4
[M+NH4]+ 329.22236 187.5
[M+K]+ 350.15170 184.6
[M-H]- 310.18126 186.5
[M+Na-2H]- 332.16321 188.3
[M]+ 311.18799 183.6
[M]- 311.18909 183.6
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.