CID 3032659

Nsc 112132

Structural Information

Molecular Formula
C9H17Cl2N4O7P
SMILES
CC(O)OC(=O)NP(NC(=O)NOC)NC(=O)OC(CCl)CCl
InChI
InChI=1S/C9H17Cl2N4O7P/c1-5(16)21-8(18)14-23(13-7(17)12-20-2)15-9(19)22-6(3-10)4-11/h5-6,16H,3-4H2,1-2H3,(H,14,18)(H,15,19)(H2,12,13,17)
InChIKey
OVTJWFSZCRZNFC-UHFFFAOYSA-N
Compound name
1-hydroxyethyl N-[(1,3-dichloropropan-2-yloxycarbonylamino)-(methoxycarbamoylamino)phosphanyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.02118 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.02846 177.0
[M+Na]+ 417.01040 179.2
[M-H]- 393.01390 174.8
[M+NH4]+ 412.05500 211.1
[M+K]+ 432.98434 179.5
[M+H-H2O]+ 377.01844 170.6
[M+HCOO]- 439.01938 203.6
[M+CH3COO]- 453.03503 222.5
[M+Na-2H]- 414.99585 173.2
[M]+ 394.02063 182.8
[M]- 394.02173 182.8
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.