CID 204859

Brn 1399653

Structural Information

Molecular Formula

C₂₂H₃₂N₂O₂

SMILES

CC1(C2CCC1(C(C2CN3CCCC3)OC(=O)C4=CC=C(C=C4)N)C)C

InChI

InChI=1S/C22H32N2O2/c1-21(2)18-10-11-22(21,3)19(17(18)14-24-12-4-5-13-24)26-20(25)15-6-8-16(23)9-7-15/h6-9,17-19H,4-5,10-14,23H2,1-3H3

InChIKey

QORQZMUVKBMEFK-UHFFFAOYSA-N

Compound name

[1,7,7-trimethyl-3-(pyrrolidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 4-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 356.24637 Da
Monoisotopic Mass: 4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	357.253646	188.5
[M+Na]+	379.235588	193.9
[M-H]-	355.239094	196.0
[M+NH4]+	374.280193	210.3
[M+K]+	395.209528	189.3
[M+H-H2O]+	339.243630	182.6
[M+HCOO]-	401.244571	205.1
[M+CH3COO]-	415.260221	198.3
[M+Na-2H]-	377.221036	184.1
[M]+	356.24582142	186.6
[M]-	356.24691858	186.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.