CID 3050418

Prenoverine

Structural Information

Molecular Formula
C25H29NO2
SMILES
CC(COC1=CC=CC=C1)N(C)CCOC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H29NO2/c1-21(20-28-24-16-10-5-11-17-24)26(2)18-19-27-25(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,21,25H,18-20H2,1-2H3
InChIKey
NHXOILLCRMVISV-UHFFFAOYSA-N
Compound name
N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

375.21982 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.22710 195.3
[M+Na]+ 398.20904 196.5
[M-H]- 374.21254 204.3
[M+NH4]+ 393.25364 205.9
[M+K]+ 414.18298 193.0
[M+H-H2O]+ 358.21708 184.1
[M+HCOO]- 420.21802 216.8
[M+CH3COO]- 434.23367 224.5
[M+Na-2H]- 396.19449 196.9
[M]+ 375.21927 197.2
[M]- 375.22037 197.2
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.