CID 9423

Bucricaine

Structural Information

Molecular Formula

C₁₇H₂₂N₂

SMILES

CCCCNC1=C2CCCCC2=NC3=CC=CC=C31

InChI

InChI=1S/C17H22N2/c1-2-3-12-18-17-13-8-4-6-10-15(13)19-16-11-7-5-9-14(16)17/h4,6,8,10H,2-3,5,7,9,11-12H2,1H3,(H,18,19)

InChIKey

ZFPNOTAGQWNERF-UHFFFAOYSA-N

Compound name

N-butyl-1,2,3,4-tetrahydroacridin-9-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 21
References: 297
Patents: 254.1783 Da
Monoisotopic Mass: 4.6
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]+	255.18558	159.3
[M+Na]+	277.16752	164.9
[M-H]-	253.17102	162.1
[M+NH4]+	272.21212	176.7
[M+K]+	293.14146	159.6
[M+H-H2O]+	237.17556	150.8
[M+HCOO]-	299.17650	177.6
[M+CH3COO]-	313.19215	169.8
[M+Na-2H]-	275.15297	166.6
[M]+	254.17775	157.0
[M]-	254.17885	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe