CID 3067548

81733-16-6

Structural Information

Molecular Formula
C11H23Cl2N4O4P
SMILES
CCNC(=O)N(C)OC1CCOP(=O)(N1)N(CCCl)CCCl
InChI
InChI=1S/C11H23Cl2N4O4P/c1-3-14-11(18)16(2)21-10-4-9-20-22(19,15-10)17(7-5-12)8-6-13/h10H,3-9H2,1-2H3,(H,14,18)(H,15,19)
InChIKey
HUUSONQVVVTSKO-UHFFFAOYSA-N
Compound name
1-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]oxy]-3-ethyl-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.0834 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09068 179.5
[M+Na]+ 399.07262 182.9
[M-H]- 375.07612 181.2
[M+NH4]+ 394.11722 192.4
[M+K]+ 415.04656 182.4
[M+H-H2O]+ 359.08066 171.9
[M+HCOO]- 421.08160 195.5
[M+CH3COO]- 435.09725 222.1
[M+Na-2H]- 397.05807 179.3
[M]+ 376.08285 184.2
[M]- 376.08395 184.2
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.