CID 18768

Ammonium, diethylmethyl(2-(3-(1-naphthyl)-2-(tetrahydrofurfuryl)propoxy)ethyl)-, iodide

Structural Information

Molecular Formula
C25H38NO2
SMILES
CC[N+](C)(CC)CCOCC(CC1CCCO1)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C25H38NO2/c1-4-26(3,5-2)15-17-27-20-21(19-24-13-9-16-28-24)18-23-12-8-11-22-10-6-7-14-25(22)23/h6-8,10-12,14,21,24H,4-5,9,13,15-20H2,1-3H3/q+1
InChIKey
JJYFGCMZUABGIG-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.29025 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.29753 201.4
[M+Na]+ 407.27947 202.5
[M-H]- 383.28297 208.8
[M+NH4]+ 402.32407 214.3
[M+K]+ 423.25341 194.0
[M+H-H2O]+ 367.28751 195.4
[M+HCOO]- 429.28845 218.4
[M+CH3COO]- 443.30410 220.2
[M+Na-2H]- 405.26492 204.8
[M]+ 384.28970 202.9
[M]- 384.29080 202.9
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.