CID 85845033

N-nitroso desmethyldiphenhydramine

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CN(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
InChIKey
AZLXCAYLZMGCFN-UHFFFAOYSA-N
Compound name
N-(2-benzhydryloxyethyl)-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.13684 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 162.6
[M+Na]+ 293.12606 166.9
[M-H]- 269.12956 171.2
[M+NH4]+ 288.17066 178.7
[M+K]+ 309.10000 165.7
[M+H-H2O]+ 253.13410 153.2
[M+HCOO]- 315.13504 189.9
[M+CH3COO]- 329.15069 207.9
[M+Na-2H]- 291.11151 168.8
[M]+ 270.13629 165.5
[M]- 270.13739 165.5
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.