CID 3069331

Cor 28 10

Structural Information

Molecular Formula
C21H29NO3
SMILES
CC1=CC(=C(C=C1OC)C(C)C)OCCNCCOC2=CC=CC=C2
InChI
InChI=1S/C21H29NO3/c1-16(2)19-15-20(23-4)17(3)14-21(19)25-13-11-22-10-12-24-18-8-6-5-7-9-18/h5-9,14-16,22H,10-13H2,1-4H3
InChIKey
ZRIRSXFGJWAPFI-UHFFFAOYSA-N
Compound name
N-[2-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)ethyl]-2-phenoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.21475 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.22203 186.0
[M+Na]+ 366.20397 198.6
[M+NH4]+ 361.24857 193.1
[M+K]+ 382.17791 190.5
[M-H]- 342.20747 190.6
[M+Na-2H]- 364.18942 193.2
[M]+ 343.21420 189.1
[M]- 343.21530 189.1
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.