CID 3038612

Cpg 264

Structural Information

Molecular Formula
C21H21N
SMILES
CNC1CCC2(C=C1)C3=CC=CC=C3C=CC4=CC=CC=C24
InChI
InChI=1S/C21H21N/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/h2-12,14,18,22H,13,15H2,1H3
InChIKey
UWBPZGRQWRFCCE-UHFFFAOYSA-N
Compound name
N-methylspiro[cyclohex-2-ene-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

2
Patents

287.1674 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.174676 169.0
[M+Na]+ 310.156618 175.4
[M-H]- 286.160124 177.2
[M+NH4]+ 305.201223 187.6
[M+K]+ 326.130558 172.2
[M+H-H2O]+ 270.164660 162.6
[M+HCOO]- 332.165601 188.2
[M+CH3COO]- 346.181251 179.7
[M+Na-2H]- 308.142066 176.9
[M]+ 287.16685142 163.3
[M]- 287.16794858 163.3
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

No patent data available for this compound.