CID 4411547

797-72-8

Structural Information

Molecular Formula
C20H20NOP
SMILES
CN(C)C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H20NOP/c1-21(2)17-13-15-20(16-14-17)23(22,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3
InChIKey
IRWRWTCTSDPRSA-UHFFFAOYSA-N
Compound name
4-diphenylphosphoryl-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

321.12827 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.13555 178.0
[M+Na]+ 344.11749 183.2
[M-H]- 320.12099 187.3
[M+NH4]+ 339.16209 192.1
[M+K]+ 360.09143 179.1
[M+H-H2O]+ 304.12553 166.1
[M+HCOO]- 366.12647 206.6
[M+CH3COO]- 380.14212 213.9
[M+Na-2H]- 342.10294 180.4
[M]+ 321.12772 178.3
[M]- 321.12882 178.3
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