CID 64599

Amppd

Structural Information

Molecular Formula
C18H23O7P
SMILES
COC1(C2(C3CC4CC(C3)CC2C4)OO1)C5=CC(=CC=C5)OP(=O)(O)O
InChI
InChI=1S/C18H23O7P/c1-22-18(13-3-2-4-16(10-13)23-26(19,20)21)17(24-25-18)14-6-11-5-12(8-14)9-15(17)7-11/h2-4,10-12,14-15H,5-9H2,1H3,(H2,19,20,21)
InChIKey
XYIPYISRNJUPBA-UHFFFAOYSA-N
Compound name
[3-(3'-methoxyspiro[adamantane-2,4'-dioxetane]-3'-yl)phenyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

38
References

2897
Patents

382.11813 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.12541 184.5
[M+Na]+ 405.10735 188.5
[M+NH4]+ 400.15195 191.1
[M+K]+ 421.08129 182.7
[M-H]- 381.11085 182.1
[M+Na-2H]- 403.09280 179.4
[M]+ 382.11758 183.4
[M]- 382.11868 183.4
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