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 169.5
[M+Na]+ 312.17226 174.9
[M-H]- 288.17576 177.3
[M+NH4]+ 307.21686 187.9
[M+K]+ 328.14620 171.8
[M+H-H2O]+ 272.18030 163.0
[M+HCOO]- 334.18124 187.3
[M+CH3COO]- 348.19689 179.7
[M+Na-2H]- 310.15771 176.5
[M]+ 289.18249 162.4
[M]- 289.18359 162.4
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

patents stripe