CID 3074325

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

Structural Information

Molecular Formula
C11H15N2O4P
SMILES
C1=CC=C2C(=C1)C(=O)NP(O2)N(CCO)CCO
InChI
InChI=1S/C11H15N2O4P/c14-7-5-13(6-8-15)18-12-11(16)9-3-1-2-4-10(9)17-18/h1-4,14-15H,5-8H2,(H,12,16)
InChIKey
RCOGFNHTEQMZMB-UHFFFAOYSA-N
Compound name
2-[bis(2-hydroxyethyl)amino]-3H-1,3,2-benzoxazaphosphinin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.07693 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08421 161.5
[M+Na]+ 293.06615 166.4
[M-H]- 269.06965 160.7
[M+NH4]+ 288.11075 174.7
[M+K]+ 309.04009 164.8
[M+H-H2O]+ 253.07419 151.7
[M+HCOO]- 315.07513 183.0
[M+CH3COO]- 329.09078 196.1
[M+Na-2H]- 291.05160 163.4
[M]+ 270.07638 160.8
[M]- 270.07748 160.8
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.