CID 3038614

Cpg 147

Structural Information

Molecular Formula
C22H25N
SMILES
CN(C)C1CCC2(CC1)C3=CC=CC=C3C=CC4=CC=CC=C24
InChI
InChI=1S/C22H25N/c1-23(2)19-13-15-22(16-14-19)20-9-5-3-7-17(20)11-12-18-8-4-6-10-21(18)22/h3-12,19H,13-16H2,1-2H3
InChIKey
QFWNWUDKOQTZCU-UHFFFAOYSA-N
Compound name
N,N-dimethylspiro[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

2
Patents

303.1987 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.205976 173.6
[M+Na]+ 326.187918 178.6
[M-H]- 302.191424 182.4
[M+NH4]+ 321.232523 192.0
[M+K]+ 342.161858 176.5
[M+H-H2O]+ 286.195960 166.7
[M+HCOO]- 348.196901 191.4
[M+CH3COO]- 362.212551 183.8
[M+Na-2H]- 324.173366 179.2
[M]+ 303.19815142 167.8
[M]- 303.19924858 167.8
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

patents stripe