CID 72002

Panuramine

Structural Information

Molecular Formula
C24H25N3O2
SMILES
C1CN(CCC1NC(=O)NC(=O)C2=CC=CC=C2)CC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C24H25N3O2/c28-23(20-7-2-1-3-8-20)26-24(29)25-22-12-14-27(15-13-22)17-18-10-11-19-6-4-5-9-21(19)16-18/h1-11,16,22H,12-15,17H2,(H2,25,26,28,29)
InChIKey
AQFFJGJVFJCQQL-UHFFFAOYSA-N
Compound name
N-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

212
Patents

387.19467 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.20195 191.9
[M+Na]+ 410.18389 193.4
[M-H]- 386.18739 199.1
[M+NH4]+ 405.22849 200.9
[M+K]+ 426.15783 187.7
[M+H-H2O]+ 370.19193 180.4
[M+HCOO]- 432.19287 208.8
[M+CH3COO]- 446.20852 199.0
[M+Na-2H]- 408.16934 194.9
[M]+ 387.19412 185.9
[M]- 387.19522 185.9
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

No patent data available for this compound.