CID 3056493

73790-52-0

Structural Information

Molecular Formula
C22H24NO4P
SMILES
CC(C(C1=CC=CC=C1)O)N(C)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C22H24NO4P/c1-18(22(24)19-12-6-3-7-13-19)23(2)28(25,26-20-14-8-4-9-15-20)27-21-16-10-5-11-17-21/h3-18,22,24H,1-2H3
InChIKey
MBMBFWDUUWUHPW-UHFFFAOYSA-N
Compound name
2-[diphenoxyphosphoryl(methyl)amino]-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.1443 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.15158 195.3
[M+Na]+ 420.13352 196.8
[M-H]- 396.13702 202.5
[M+NH4]+ 415.17812 204.6
[M+K]+ 436.10746 194.9
[M+H-H2O]+ 380.14156 182.7
[M+HCOO]- 442.14250 220.2
[M+CH3COO]- 456.15815 224.0
[M+Na-2H]- 418.11897 195.3
[M]+ 397.14375 196.7
[M]- 397.14485 196.7
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.