CID 56841894

Einecs 264-559-4

Structural Information

Molecular Formula
C21H32N2O
SMILES
C[N+](C)(CC1=CC=CC=C1)CC(C[N+](C)(C)CC2=CC=CC=C2)O
InChI
InChI=1S/C21H32N2O/c1-22(2,15-19-11-7-5-8-12-19)17-21(24)18-23(3,4)16-20-13-9-6-10-14-20/h5-14,21,24H,15-18H2,1-4H3/q+2
InChIKey
DCNPQGIRDZKDLS-UHFFFAOYSA-N
Compound name
benzyl-[3-[benzyl(dimethyl)azaniumyl]-2-hydroxypropyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

328.25146 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.25874 180.1
[M+Na]+ 351.24068 195.4
[M+NH4]+ 346.28528 190.5
[M+K]+ 367.21462 188.9
[M-H]- 327.24418 188.8
[M+Na-2H]- 349.22613 191.3
[M]+ 328.25091 185.8
[M]- 328.25201 185.8
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

patents stripe