CID 3040743

52855-16-0

Structural Information

Molecular Formula
C14H20N3O4P
SMILES
CCC1(CN(P(=O)(OC1)N2CC2)CC3=CC=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H20N3O4P/c1-2-14(17(18)19)11-16(10-13-6-4-3-5-7-13)22(20,21-12-14)15-8-9-15/h3-7H,2,8-12H2,1H3
InChIKey
WOGUCXDQJMCBCV-UHFFFAOYSA-N
Compound name
2-(aziridin-1-yl)-3-benzyl-5-ethyl-5-nitro-1,3,2lambda5-oxazaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.11914 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.12642 173.1
[M+Na]+ 348.10836 179.5
[M-H]- 324.11186 179.9
[M+NH4]+ 343.15296 181.6
[M+K]+ 364.08230 175.2
[M+H-H2O]+ 308.11640 167.2
[M+HCOO]- 370.11734 195.7
[M+CH3COO]- 384.13299 202.7
[M+Na-2H]- 346.09381 178.6
[M]+ 325.11859 173.9
[M]- 325.11969 173.9
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.