CID 3039893

Cpg 148

Structural Information

Molecular Formula
C21H23N
SMILES
CNC1CCC2(CC1)C3=CC=CC=C3C=CC4=CC=CC=C24
InChI
InChI=1S/C21H23N/c1-22-18-12-14-21(15-13-18)19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11,18,22H,12-15H2,1H3
InChIKey
TYWUATNCOTUYFC-UHFFFAOYSA-N
Compound name
N-methylspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 169.8
[M+Na]+ 312.17226 182.6
[M+NH4]+ 307.21686 181.4
[M+K]+ 328.14620 172.1
[M-H]- 288.17576 176.3
[M+Na-2H]- 310.15771 178.9
[M]+ 289.18249 173.9
[M]- 289.18359 173.9
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

patents stripe