CID 6712809

227000-59-1

Structural Information

Molecular Formula
C22H31NO
SMILES
CC(C)C(C1=CC=CC=C1)N(C(C)(C)C)OC(C)C2=CC=CC=C2
InChI
InChI=1S/C22H31NO/c1-17(2)21(20-15-11-8-12-16-20)23(22(4,5)6)24-18(3)19-13-9-7-10-14-19/h7-18,21H,1-6H3
InChIKey
FPFRTDOMIFBPBZ-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

348
Patents

325.24057 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.24785 183.1
[M+Na]+ 348.22979 185.1
[M-H]- 324.23329 189.9
[M+NH4]+ 343.27439 197.0
[M+K]+ 364.20373 183.4
[M+H-H2O]+ 308.23783 174.6
[M+HCOO]- 370.23877 202.0
[M+CH3COO]- 384.25442 218.5
[M+Na-2H]- 346.21524 183.7
[M]+ 325.24002 184.6
[M]- 325.24112 184.6
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