CID 3069329

Cor 28 09

Structural Information

Molecular Formula
C22H31NO3
SMILES
CC1=CC(=C(C=C1OC)C(C)C)OCCN(C)CCOC2=CC=CC=C2
InChI
InChI=1S/C22H31NO3/c1-17(2)20-16-21(24-5)18(3)15-22(20)26-14-12-23(4)11-13-25-19-9-7-6-8-10-19/h6-10,15-17H,11-14H2,1-5H3
InChIKey
FLUQMOUODJZJRS-UHFFFAOYSA-N
Compound name
N-[2-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)ethyl]-N-methyl-2-phenoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

357.2304 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.23768 190.5
[M+Na]+ 380.21962 195.0
[M-H]- 356.22312 197.8
[M+NH4]+ 375.26422 203.7
[M+K]+ 396.19356 193.0
[M+H-H2O]+ 340.22766 181.0
[M+HCOO]- 402.22860 213.2
[M+CH3COO]- 416.24425 224.5
[M+Na-2H]- 378.20507 190.4
[M]+ 357.22985 197.7
[M]- 357.23095 197.7
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