CID 3043817

Brn 1173886

Structural Information

Molecular Formula
C23H32N2O3
SMILES
COC1=C(C=C(C=C1)C(CC2=CC=CC=C2)NCCCN3CCOCC3)OC
InChI
InChI=1S/C23H32N2O3/c1-26-22-10-9-20(18-23(22)27-2)21(17-19-7-4-3-5-8-19)24-11-6-12-25-13-15-28-16-14-25/h3-5,7-10,18,21,24H,6,11-17H2,1-2H3
InChIKey
QQEGJRZXLIVCAH-UHFFFAOYSA-N
Compound name
N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-3-morpholin-4-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2413 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.24858 196.6
[M+Na]+ 407.23052 197.8
[M-H]- 383.23402 203.4
[M+NH4]+ 402.27512 204.0
[M+K]+ 423.20446 194.8
[M+H-H2O]+ 367.23856 184.9
[M+HCOO]- 429.23950 213.1
[M+CH3COO]- 443.25515 222.7
[M+Na-2H]- 405.21597 197.8
[M]+ 384.24075 196.4
[M]- 384.24185 196.4
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.