CID 89770

22616-31-5

Structural Information

Molecular Formula
C25H38NO2
SMILES
CC(C)C[N+](CCOCCOC1=CC=CC=C1)(CC2=CC=CC=C2)CC(C)C
InChI
InChI=1S/C25H38NO2/c1-22(2)19-26(20-23(3)4,21-24-11-7-5-8-12-24)15-16-27-17-18-28-25-13-9-6-10-14-25/h5-14,22-23H,15-21H2,1-4H3/q+1
InChIKey
CWRRXEQGCKEPQM-UHFFFAOYSA-N
Compound name
benzyl-bis(2-methylpropyl)-[2-(2-phenoxyethoxy)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

384.29025 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.29753 199.0
[M+Na]+ 407.27947 212.2
[M+NH4]+ 402.32407 207.4
[M+K]+ 423.25341 204.1
[M-H]- 383.28297 205.3
[M+Na-2H]- 405.26492 207.6
[M]+ 384.28970 203.2
[M]- 384.29080 203.2
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.