CID 169444684

N-nitroso desmethyldiphenhydramine-d3

Structural Information

Molecular Formula
C16H18N2O2
SMILES
[2H]C([2H])([2H])N(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)N=O
InChI
InChI=1S/C16H18N2O2/c1-18(17-19)12-13-20-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3/i1D3
InChIKey
AZLXCAYLZMGCFN-FIBGUPNXSA-N
Compound name
N-(2-benzhydryloxyethyl)-N-(trideuteriomethyl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.15567 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16295 171.8
[M+Na]+ 296.14489 183.4
[M+NH4]+ 291.18949 179.7
[M+K]+ 312.11883 176.1
[M-H]- 272.14839 176.9
[M+Na-2H]- 294.13034 181.2
[M]+ 273.15512 174.9
[M]- 273.15622 174.9
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.