CID 3067546

81733-12-2

Structural Information

Molecular Formula
C10H21Cl2N4O4P
SMILES
CCN(C(=O)N)OC1CCOP(=O)(N1)N(CCCl)CCCl
InChI
InChI=1S/C10H21Cl2N4O4P/c1-2-16(10(13)17)20-9-3-8-19-21(18,14-9)15(6-4-11)7-5-12/h9H,2-8H2,1H3,(H2,13,17)(H,14,18)
InChIKey
OTZUTRCNOSWESN-UHFFFAOYSA-N
Compound name
1-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]oxy]-1-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.06775 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.07503 175.1
[M+Na]+ 385.05697 178.8
[M-H]- 361.06047 176.4
[M+NH4]+ 380.10157 188.1
[M+K]+ 401.03091 178.2
[M+H-H2O]+ 345.06501 167.6
[M+HCOO]- 407.06595 190.8
[M+CH3COO]- 421.08160 219.4
[M+Na-2H]- 383.04242 174.4
[M]+ 362.06720 178.5
[M]- 362.06830 178.5
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.