CID 214764

Brn 1186791

Structural Information

Molecular Formula
C16H24N4O5P2
SMILES
C1CN1P(=O)(N2CC2)OC3=CC=C(C=C3)OP(=O)(N4CC4)N5CCOCC5
InChI
InChI=1S/C16H24N4O5P2/c21-26(17-5-6-17,18-7-8-18)24-15-1-3-16(4-2-15)25-27(22,19-9-10-19)20-11-13-23-14-12-20/h1-4H,5-14H2
InChIKey
CAPLAJGKUAWUIL-UHFFFAOYSA-N
Compound name
4-[aziridin-1-yl-[4-[bis(aziridin-1-yl)phosphoryloxy]phenoxy]phosphoryl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1222 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.12948 226.6
[M+Na]+ 437.11142 226.4
[M-H]- 413.11492 230.6
[M+NH4]+ 432.15602 217.2
[M+K]+ 453.08536 226.7
[M+H-H2O]+ 397.11946 215.9
[M+HCOO]- 459.12040 239.4
[M+CH3COO]- 473.13605 232.8
[M+Na-2H]- 435.09687 219.2
[M]+ 414.12165 228.3
[M]- 414.12275 228.3
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.