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 173.8
[M+Na]+ 334.17776 174.6
[M-H]- 310.18126 181.5
[M+NH4]+ 329.22236 183.6
[M+K]+ 350.15170 176.1
[M+H-H2O]+ 294.18580 164.7
[M+HCOO]- 356.18674 189.8
[M+CH3COO]- 370.20239 182.3
[M+Na-2H]- 332.16321 177.1
[M]+ 311.18799 168.2
[M]- 311.18909 168.2
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.