CID 13770908

97139-68-9

Structural Information

Molecular Formula
C11H21Cl2N4O4P
SMILES
C=CCNC(=O)N(C1CCOP(=O)(N1)N(CCCl)CCCl)O
InChI
InChI=1S/C11H21Cl2N4O4P/c1-2-6-14-11(18)17(19)10-3-9-21-22(20,15-10)16(7-4-12)8-5-13/h2,10,19H,1,3-9H2,(H,14,18)(H,15,20)
InChIKey
ZKQIKFRKMCOIAL-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-1-hydroxy-3-prop-2-enylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.06775 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.07503 178.9
[M+Na]+ 397.05697 182.1
[M-H]- 373.06047 179.3
[M+NH4]+ 392.10157 191.0
[M+K]+ 413.03091 180.2
[M+H-H2O]+ 357.06501 171.6
[M+HCOO]- 419.06595 193.6
[M+CH3COO]- 433.08160 219.1
[M+Na-2H]- 395.04242 178.2
[M]+ 374.06720 181.0
[M]- 374.06830 181.0
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.