CID 43381

Brn 0452624

Structural Information

Molecular Formula
C25H30N2O2
SMILES
CC(=O)C1(CCN(CC1)CCC2=CC=CC=C2)N(C3=CC=CC=C3)C(=O)C4CC4
InChI
InChI=1S/C25H30N2O2/c1-20(28)25(27(24(29)22-12-13-22)23-10-6-3-7-11-23)15-18-26(19-16-25)17-14-21-8-4-2-5-9-21/h2-11,22H,12-19H2,1H3
InChIKey
NFENKNXOMHOGEC-UHFFFAOYSA-N
Compound name
N-[4-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylcyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

390.23074 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.23802 194.4
[M+Na]+ 413.21996 197.1
[M-H]- 389.22346 205.1
[M+NH4]+ 408.26456 200.5
[M+K]+ 429.19390 193.8
[M+H-H2O]+ 373.22800 184.0
[M+HCOO]- 435.22894 211.6
[M+CH3COO]- 449.24459 226.6
[M+Na-2H]- 411.20541 194.4
[M]+ 390.23019 193.2
[M]- 390.23129 193.2
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

patents stripe