CID 214765

Brn 1194506

Structural Information

Molecular Formula
C18H28N4O6P2
SMILES
C1CN1P(=O)(N2CCOCC2)OC3=CC=C(C=C3)OP(=O)(N4CC4)N5CCOCC5
InChI
InChI=1S/C18H28N4O6P2/c23-29(19-5-6-19,21-9-13-25-14-10-21)27-17-1-2-18(4-3-17)28-30(24,20-7-8-20)22-11-15-26-16-12-22/h1-4H,5-16H2
InChIKey
ADUFPBCBTUMBJD-UHFFFAOYSA-N
Compound name
4-[aziridin-1-yl-[4-[aziridin-1-yl(morpholin-4-yl)phosphoryl]oxyphenoxy]phosphoryl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

458.1484 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.15568 224.4
[M+Na]+ 481.13762 224.8
[M-H]- 457.14112 229.9
[M+NH4]+ 476.18222 215.4
[M+K]+ 497.11156 225.7
[M+H-H2O]+ 441.14566 209.7
[M+HCOO]- 503.14660 238.1
[M+CH3COO]- 517.16225 232.8
[M+Na-2H]- 479.12307 219.3
[M]+ 458.14785 224.0
[M]- 458.14895 224.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe