CID 3063430

100857-68-9

Structural Information

Molecular Formula
C20H28N2O3P
SMILES
C[N+](C)(C)CCOP(=O)(N1CCC=C1CC2=CC=CC3=CC=CC=C32)O
InChI
InChI=1S/C20H27N2O3P/c1-22(2,3)14-15-25-26(23,24)21-13-7-11-19(21)16-18-10-6-9-17-8-4-5-12-20(17)18/h4-6,8-12H,7,13-16H2,1-3H3/p+1
InChIKey
KFSNTMMFEDPGOK-UHFFFAOYSA-O
Compound name
2-[hydroxy-[5-(naphthalen-1-ylmethyl)-2,3-dihydropyrrol-1-yl]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.18375 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.19103 192.3
[M+Na]+ 398.17297 196.6
[M-H]- 374.17647 197.0
[M+NH4]+ 393.21757 205.6
[M+K]+ 414.14691 187.6
[M+H-H2O]+ 358.18101 184.4
[M+HCOO]- 420.18195 215.2
[M+CH3COO]- 434.19760 213.7
[M+Na-2H]- 396.15842 197.2
[M]+ 375.18320 193.4
[M]- 375.18430 193.4
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.