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

292
Patents

254.1783 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.18558 161.1
[M+Na]+ 277.16752 174.9
[M+NH4]+ 272.21212 171.2
[M+K]+ 293.14146 165.1
[M-H]- 253.17102 165.8
[M+Na-2H]- 275.15297 167.7
[M]+ 254.17775 164.5
[M]- 254.17885 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe