CID 98263

7761-65-1

Structural Information

Molecular Formula
C21H22NO3P
SMILES
CC(CC1=CC=CC=C1)NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C21H22NO3P/c1-18(17-19-11-5-2-6-12-19)22-26(23,24-20-13-7-3-8-14-20)25-21-15-9-4-10-16-21/h2-16,18H,17H2,1H3,(H,22,23)
InChIKey
POARXUUKTQVRQQ-UHFFFAOYSA-N
Compound name
N-diphenoxyphosphoryl-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

367.13373 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14101 188.7
[M+Na]+ 390.12295 191.6
[M-H]- 366.12645 196.0
[M+NH4]+ 385.16755 199.6
[M+K]+ 406.09689 187.9
[M+H-H2O]+ 350.13099 176.2
[M+HCOO]- 412.13193 215.8
[M+CH3COO]- 426.14758 217.4
[M+Na-2H]- 388.10840 191.1
[M]+ 367.13318 189.6
[M]- 367.13428 189.6
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

patents stripe