CID 58421

101491-53-6

Structural Information

Molecular Formula
C19H37N4O4P
SMILES
CC1(CN(CC(C1OC(=O)NP(=O)(N2CC2(C)C)N3CC3(C)C)(C)C)OC)C
InChI
InChI=1S/C19H37N4O4P/c1-16(2)10-21(26-9)11-17(3,4)14(16)27-15(24)20-28(25,22-12-18(22,5)6)23-13-19(23,7)8/h14H,10-13H2,1-9H3,(H,20,24,25)
InChIKey
SBWVKJUAHDOUQG-UHFFFAOYSA-N
Compound name
(1-methoxy-3,3,5,5-tetramethylpiperidin-4-yl) N-bis(2,2-dimethylaziridin-1-yl)phosphorylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.25525 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.26253 211.5
[M+Na]+ 439.24447 217.3
[M-H]- 415.24797 216.0
[M+NH4]+ 434.28907 215.8
[M+K]+ 455.21841 219.5
[M+H-H2O]+ 399.25251 208.0
[M+HCOO]- 461.25345 224.0
[M+CH3COO]- 475.26910 234.6
[M+Na-2H]- 437.22992 209.4
[M]+ 416.25470 220.5
[M]- 416.25580 220.5
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.