CID 3067549

81733-17-7

Structural Information

Molecular Formula
C14H29Cl2N4O4P
SMILES
CCN(CC)C(=O)N(CC)OC1CCOP(=O)(N1)N(CCCl)CCCl
InChI
InChI=1S/C14H29Cl2N4O4P/c1-4-18(5-2)14(21)20(6-3)24-13-7-12-23-25(22,17-13)19(10-8-15)11-9-16/h13H,4-12H2,1-3H3,(H,17,22)
InChIKey
CAOWMACJQJMVRK-UHFFFAOYSA-N
Compound name
1-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]oxy]-1,3,3-triethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.13034 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.13762 192.7
[M+Na]+ 441.11956 195.2
[M-H]- 417.12306 195.4
[M+NH4]+ 436.16416 204.6
[M+K]+ 457.09350 195.3
[M+H-H2O]+ 401.12760 184.6
[M+HCOO]- 463.12854 208.4
[M+CH3COO]- 477.14419 234.0
[M+Na-2H]- 439.10501 190.5
[M]+ 418.12979 199.9
[M]- 418.13089 199.9
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.