CID 118987274

Unii-k27wi90bwn

Structural Information

Molecular Formula
C23H28N2O
SMILES
CCC(=O)N(C1CCN(CC1)[C@@H]2C[C@H]2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H28N2O/c1-2-23(26)25(19-11-7-4-8-12-19)20-13-15-24(16-14-20)22-17-21(22)18-9-5-3-6-10-18/h3-12,20-22H,2,13-17H2,1H3/t21-,22+/m0/s1
InChIKey
YOKFXXJHMBYPRF-FCHUYYIVSA-N
Compound name
N-phenyl-N-[1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

348.22015 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.227426 182.9
[M+Na]+ 371.209368 186.7
[M-H]- 347.212874 194.0
[M+NH4]+ 366.253973 189.4
[M+K]+ 387.183308 182.3
[M+H-H2O]+ 331.217410 172.2
[M+HCOO]- 393.218351 201.8
[M+CH3COO]- 407.234001 191.5
[M+Na-2H]- 369.194816 183.4
[M]+ 348.21960142 180.9
[M]- 348.22069858 180.9
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