CID 38089

Pranolium

Structural Information

Molecular Formula
C18H26NO2
SMILES
CC(C)[N+](C)(C)CC(COC1=CC=CC2=CC=CC=C21)O
InChI
InChI=1S/C18H26NO2/c1-14(2)19(3,4)12-16(20)13-21-18-11-7-9-15-8-5-6-10-17(15)18/h5-11,14,16,20H,12-13H2,1-4H3/q+1
InChIKey
VOPWPUXOWBDNBN-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethyl-propan-2-ylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

38
References

342
Patents

288.19635 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.20363 169.6
[M+Na]+ 311.18557 174.0
[M-H]- 287.18907 173.6
[M+NH4]+ 306.23017 185.9
[M+K]+ 327.15951 166.0
[M+H-H2O]+ 271.19361 165.5
[M+HCOO]- 333.19455 188.3
[M+CH3COO]- 347.21020 201.0
[M+Na-2H]- 309.17102 176.6
[M]+ 288.19580 170.5
[M]- 288.19690 170.5
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