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 189.8
[M+Na]+ 380.21962 191.8
[M-H]- 356.22312 193.4
[M+NH4]+ 375.26422 201.0
[M+K]+ 396.19356 187.4
[M+H-H2O]+ 340.22766 180.3
[M+HCOO]- 402.22860 210.5
[M+CH3COO]- 416.24425 216.3
[M+Na-2H]- 378.20507 191.6
[M]+ 357.22985 193.0
[M]- 357.23095 193.0
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