CID 59504

102571-23-3

Structural Information

Molecular Formula
C22H32NO
SMILES
CC(C)[N+](C)(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C
InChI
InChI=1S/C22H32NO/c1-18(2)23(5,19(3)4)16-17-24-22(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19,22H,16-17H2,1-5H3/q+1
InChIKey
UACINOJEQZVSCX-UHFFFAOYSA-N
Compound name
2-benzhydryloxyethyl-methyl-di(propan-2-yl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.24838 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.25566 183.7
[M+Na]+ 349.23760 185.6
[M-H]- 325.24110 190.4
[M+NH4]+ 344.28220 197.4
[M+K]+ 365.21154 177.4
[M+H-H2O]+ 309.24564 177.8
[M+HCOO]- 371.24658 202.9
[M+CH3COO]- 385.26223 211.6
[M+Na-2H]- 347.22305 187.5
[M]+ 326.24783 184.0
[M]- 326.24893 184.0
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.