CID 232775

7251-15-2

Structural Information

Molecular Formula
C18H30N3O6P3
SMILES
C=CCOP1(=NP(=NP(=N1)(OCC=C)OCC=C)(OCC=C)OCC=C)OCC=C
InChI
InChI=1S/C18H30N3O6P3/c1-7-13-22-28(23-14-8-2)19-29(24-15-9-3,25-16-10-4)21-30(20-28,26-17-11-5)27-18-12-6/h7-12H,1-6,13-18H2
InChIKey
IQHYBIZPXPPXFQ-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6-hexakis(prop-2-enoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

477.13474 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.14202 196.5
[M+Na]+ 500.12396 202.5
[M-H]- 476.12746 192.1
[M+NH4]+ 495.16856 219.2
[M+K]+ 516.09790 200.4
[M+H-H2O]+ 460.13200 182.1
[M+HCOO]- 522.13294 236.6
[M+CH3COO]- 536.14859 235.4
[M+Na-2H]- 498.10941 196.4
[M]+ 477.13419 210.4
[M]- 477.13529 210.4
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