CID 3057508

74041-84-2

Structural Information

Molecular Formula
C22H31NO3
SMILES
COCCC1=CC=C(C=C1)OCC(CNCCCCC2=CC=CC=C2)O
InChI
InChI=1S/C22H31NO3/c1-25-16-14-20-10-12-22(13-11-20)26-18-21(24)17-23-15-6-5-9-19-7-3-2-4-8-19/h2-4,7-8,10-13,21,23-24H,5-6,9,14-18H2,1H3
InChIKey
ZHEZEVMGVOJQFP-UHFFFAOYSA-N
Compound name
1-[4-(2-methoxyethyl)phenoxy]-3-(4-phenylbutylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

357.2304 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.23768 191.5
[M+Na]+ 380.21962 202.5
[M+NH4]+ 375.26422 198.0
[M+K]+ 396.19356 194.1
[M-H]- 356.22312 195.3
[M+Na-2H]- 378.20507 198.1
[M]+ 357.22985 194.0
[M]- 357.23095 194.0
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

patents stripe