CID 4463551

N-[(diphenylphosphinyl)methyl]-n-methylaniline

Structural Information

Molecular Formula
C20H20NOP
SMILES
CN(CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H20NOP/c1-21(18-11-5-2-6-12-18)17-23(22,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3
InChIKey
OWFFKSATMZDTJX-UHFFFAOYSA-N
Compound name
N-(diphenylphosphorylmethyl)-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

321.12827 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.13555 178.2
[M+Na]+ 344.11749 182.5
[M-H]- 320.12099 187.0
[M+NH4]+ 339.16209 191.9
[M+K]+ 360.09143 178.2
[M+H-H2O]+ 304.12553 166.1
[M+HCOO]- 366.12647 206.8
[M+CH3COO]- 380.14212 212.8
[M+Na-2H]- 342.10294 181.2
[M]+ 321.12772 178.0
[M]- 321.12882 178.0
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

patents stripe