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

0
Patents

287.1674 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17468 169.0
[M+Na]+ 310.15662 175.4
[M-H]- 286.16012 177.2
[M+NH4]+ 305.20122 187.6
[M+K]+ 326.13056 172.2
[M+H-H2O]+ 270.16466 162.6
[M+HCOO]- 332.16560 188.2
[M+CH3COO]- 346.18125 179.7
[M+Na-2H]- 308.14207 176.9
[M]+ 287.16685 163.3
[M]- 287.16795 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.