CID 3039897

N-methyl spiro(5h-dibenzo(a,d)cycloheptene-5,1'-cyclopentane)-3'-methylamine hydrochloride

Structural Information

Molecular Formula
C21H23N
SMILES
CNCC1CCC2(C1)C3=CC=CC=C3C=CC4=CC=CC=C24
InChI
InChI=1S/C21H23N/c1-22-15-16-12-13-21(14-16)19-8-4-2-6-17(19)10-11-18-7-3-5-9-20(18)21/h2-11,16,22H,12-15H2,1H3
InChIKey
IFFGQSDSLRHPSQ-UHFFFAOYSA-N
Compound name
N-methyl-1-spiro[cyclopentane-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.18304 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19032 171.3
[M+Na]+ 312.17226 177.7
[M-H]- 288.17576 179.7
[M+NH4]+ 307.21686 191.6
[M+K]+ 328.14620 173.6
[M+H-H2O]+ 272.18030 165.4
[M+HCOO]- 334.18124 191.3
[M+CH3COO]- 348.19689 182.2
[M+Na-2H]- 310.15771 176.4
[M]+ 289.18249 166.4
[M]- 289.18359 166.4
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.