CID 71301198

97139-26-9

Structural Information

Molecular Formula
C17H25Cl2N4O6P
SMILES
C1COP(=O)(NC1N(C(=O)NCC(=O)OCC2=CC=CC=C2)O)N(CCCl)CCCl
InChI
InChI=1S/C17H25Cl2N4O6P/c18-7-9-22(10-8-19)30(27)21-15(6-11-29-30)23(26)17(25)20-12-16(24)28-13-14-4-2-1-3-5-14/h1-5,15,26H,6-13H2,(H,20,25)(H,21,27)
InChIKey
QKASWMVYBJMJNB-UHFFFAOYSA-N
Compound name
benzyl 2-[[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-hydroxycarbamoyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.08887 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.09615 200.3
[M+Na]+ 505.07809 201.6
[M-H]- 481.08159 203.5
[M+NH4]+ 500.12269 207.5
[M+K]+ 521.05203 200.7
[M+H-H2O]+ 465.08613 191.0
[M+HCOO]- 527.08707 214.1
[M+CH3COO]- 541.10272 237.2
[M+Na-2H]- 503.06354 199.1
[M]+ 482.08832 204.6
[M]- 482.08942 204.6
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.