CID 3722461

131173-04-1

Structural Information

Molecular Formula

C₁₈H₂₄NOP

SMILES

CC(C)N(C(C)C)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H24NOP/c1-15(2)19(16(3)4)21(20,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3

InChIKey

DOUWMTROIMIUBU-UHFFFAOYSA-N

Compound name

N-diphenylphosphoryl-N-propan-2-ylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 301.15955 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	302.166826	175.4
[M+Na]+	324.148768	178.9
[M-H]-	300.152274	181.4
[M+NH4]+	319.193373	190.7
[M+K]+	340.122708	176.8
[M+H-H2O]+	284.156810	164.9
[M+HCOO]-	346.157751	201.7
[M+CH3COO]-	360.173401	212.5
[M+Na-2H]-	322.134216	175.0
[M]+	301.15900142	176.6
[M]-	301.16009858	176.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe