CID 208205

Brn 1500674

Structural Information

Molecular Formula
C15H21N2O5PS
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCNCCSP(=O)(O)O
InChI
InChI=1S/C15H21N2O5PS/c18-14-12-6-2-3-7-13(12)15(19)17(14)10-5-1-4-8-16-9-11-24-23(20,21)22/h2-3,6-7,16H,1,4-5,8-11H2,(H2,20,21,22)
InChIKey
BWIITHSPBIWMQL-UHFFFAOYSA-N
Compound name
2-[5-(1,3-dioxoisoindol-2-yl)pentylamino]ethylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.09088 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09816 182.3
[M+Na]+ 395.08010 187.5
[M-H]- 371.08360 181.0
[M+NH4]+ 390.12470 195.3
[M+K]+ 411.05404 183.2
[M+H-H2O]+ 355.08814 173.6
[M+HCOO]- 417.08908 200.9
[M+CH3COO]- 431.10473 212.4
[M+Na-2H]- 393.06555 181.0
[M]+ 372.09033 187.2
[M]- 372.09143 187.2
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.