CID 13770899

97139-59-8

Structural Information

Molecular Formula
C15H23Cl2N4O4P
SMILES
C1COP(=O)(NC1N(C(=O)NCC2=CC=CC=C2)O)N(CCCl)CCCl
InChI
InChI=1S/C15H23Cl2N4O4P/c16-7-9-20(10-8-17)26(24)19-14(6-11-25-26)21(23)15(22)18-12-13-4-2-1-3-5-13/h1-5,14,23H,6-12H2,(H,18,22)(H,19,24)
InChIKey
IGNOHILLSIWNMF-UHFFFAOYSA-N
Compound name
3-benzyl-1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-1-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

424.0834 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.09068 190.7
[M+Na]+ 447.07262 193.2
[M-H]- 423.07612 193.9
[M+NH4]+ 442.11722 200.4
[M+K]+ 463.04656 191.0
[M+H-H2O]+ 407.08066 181.5
[M+HCOO]- 469.08160 205.3
[M+CH3COO]- 483.09725 227.5
[M+Na-2H]- 445.05807 190.4
[M]+ 424.08285 192.7
[M]- 424.08395 192.7
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

patents stripe