CID 3087383

Brn 5623156

Structural Information

Molecular Formula
C18H30NO5P
SMILES
CCCCOP(=O)(CNC1=CC=C(C=C1)C(=O)OCC)OCCCC
InChI
InChI=1S/C18H30NO5P/c1-4-7-13-23-25(21,24-14-8-5-2)15-19-17-11-9-16(10-12-17)18(20)22-6-3/h9-12,19H,4-8,13-15H2,1-3H3
InChIKey
GHBQKCSZZSETSZ-UHFFFAOYSA-N
Compound name
ethyl 4-(dibutoxyphosphorylmethylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.18616 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.19344 193.1
[M+Na]+ 394.17538 196.2
[M-H]- 370.17888 194.1
[M+NH4]+ 389.21998 205.4
[M+K]+ 410.14932 194.7
[M+H-H2O]+ 354.18342 182.7
[M+HCOO]- 416.18436 219.5
[M+CH3COO]- 430.20001 220.5
[M+Na-2H]- 392.16083 192.3
[M]+ 371.18561 201.7
[M]- 371.18671 201.7
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.