CID 380331

Nsc665857

Structural Information

Molecular Formula
C18H26N2O5P
SMILES
C[N+](C)(C)CCOP(=O)(O)OCCNC(=O)C1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C18H25N2O5P/c1-20(2,3)11-13-25-26(22,23)24-12-10-19-18(21)17-9-8-15-6-4-5-7-16(15)14-17/h4-9,14H,10-13H2,1-3H3,(H-,19,21,22,23)/p+1
InChIKey
OKRAYHKBTSNJCG-UHFFFAOYSA-O
Compound name
2-[hydroxy-[2-(naphthalene-2-carbonylamino)ethoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.15793 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16521 188.8
[M+Na]+ 404.14715 192.1
[M-H]- 380.15065 191.5
[M+NH4]+ 399.19175 201.0
[M+K]+ 420.12109 185.1
[M+H-H2O]+ 364.15519 181.6
[M+HCOO]- 426.15613 213.7
[M+CH3COO]- 440.17178 216.1
[M+Na-2H]- 402.13260 196.4
[M]+ 381.15738 192.6
[M]- 381.15848 192.6
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.