CID 3617625

3808-08-0

Structural Information

Molecular Formula
C13H20NO4P
SMILES
CC(C)OP(=O)(NC(=O)C1=CC=CC=C1)OC(C)C
InChI
InChI=1S/C13H20NO4P/c1-10(2)17-19(16,18-11(3)4)14-13(15)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,14,15,16)
InChIKey
XGRJGMZUZVGTHF-UHFFFAOYSA-N
Compound name
N-di(propan-2-yloxy)phosphorylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.113 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12028 167.5
[M+Na]+ 308.10222 171.7
[M-H]- 284.10572 169.4
[M+NH4]+ 303.14682 183.1
[M+K]+ 324.07616 171.7
[M+H-H2O]+ 268.11026 158.5
[M+HCOO]- 330.11120 193.6
[M+CH3COO]- 344.12685 203.9
[M+Na-2H]- 306.08767 167.4
[M]+ 285.11245 171.3
[M]- 285.11355 171.3
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

No patent data available for this compound.