CID 202205

7761-66-2

Structural Information

Molecular Formula
C22H24NO3P
SMILES
CC(CC1=CC=CC=C1)N(C)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C22H24NO3P/c1-19(18-20-12-6-3-7-13-20)23(2)27(24,25-21-14-8-4-9-15-21)26-22-16-10-5-11-17-22/h3-17,19H,18H2,1-2H3
InChIKey
SAWXWPFBADAKLE-UHFFFAOYSA-N
Compound name
N-diphenoxyphosphoryl-N-methyl-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.14938 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.15666 193.2
[M+Na]+ 404.13860 195.8
[M-H]- 380.14210 201.8
[M+NH4]+ 399.18320 204.1
[M+K]+ 420.11254 193.3
[M+H-H2O]+ 364.14664 180.3
[M+HCOO]- 426.14758 220.4
[M+CH3COO]- 440.16323 223.5
[M+Na-2H]- 402.12405 194.4
[M]+ 381.14883 195.7
[M]- 381.14993 195.7
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.