CID 208206

Brn 1503277

Structural Information

Molecular Formula
C16H23N2O5PS
SMILES
CC(C)(CSP(=O)(O)O)NCCCCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C16H23N2O5PS/c1-16(2,11-25-24(21,22)23)17-9-5-6-10-18-14(19)12-7-3-4-8-13(12)15(18)20/h3-4,7-8,17H,5-6,9-11H2,1-2H3,(H2,21,22,23)
InChIKey
GQNUWXHRQJXXCI-UHFFFAOYSA-N
Compound name
[2-[4-(1,3-dioxoisoindol-2-yl)butylamino]-2-methylpropyl]sulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.10654 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.11382 189.1
[M+Na]+ 409.09576 194.0
[M-H]- 385.09926 187.8
[M+NH4]+ 404.14036 201.5
[M+K]+ 425.06970 190.2
[M+H-H2O]+ 369.10380 180.9
[M+HCOO]- 431.10474 205.7
[M+CH3COO]- 445.12039 215.9
[M+Na-2H]- 407.08121 188.8
[M]+ 386.10599 193.7
[M]- 386.10709 193.7
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.