CID 3074328

2-(bis(2-hydroxyethyl)amino)-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one 2-oxide

Structural Information

Molecular Formula
C11H15N2O5P
SMILES
C1=CC=C2C(=C1)C(=O)NP(=O)(O2)N(CCO)CCO
InChI
InChI=1S/C11H15N2O5P/c14-7-5-13(6-8-15)19(17)12-11(16)9-3-1-2-4-10(9)18-19/h1-4,14-15H,5-8H2,(H,12,16,17)
InChIKey
HGBPTUARXOAZJN-UHFFFAOYSA-N
Compound name
2-[bis(2-hydroxyethyl)amino]-2-oxo-3H-1,3,2lambda5-benzoxazaphosphinin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.07187 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07915 162.1
[M+Na]+ 309.06109 168.1
[M-H]- 285.06459 161.7
[M+NH4]+ 304.10569 176.6
[M+K]+ 325.03503 167.0
[M+H-H2O]+ 269.06913 153.0
[M+HCOO]- 331.07007 184.0
[M+CH3COO]- 345.08572 197.2
[M+Na-2H]- 307.04654 165.7
[M]+ 286.07132 162.6
[M]- 286.07242 162.6
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.