CID 3039889

N,n-dimethylspiro(5h-dibenzo(a,d)cycloheptene-5,1'-cyclopentan)-3'-amine oxalate

Structural Information

Molecular Formula
C21H23N
SMILES
CN(C)C1CCC2(C1)C3=CC=CC=C3C=CC4=CC=CC=C24
InChI
InChI=1S/C21H23N/c1-22(2)18-13-14-21(15-18)19-9-5-3-7-16(19)11-12-17-8-4-6-10-20(17)21/h3-12,18H,13-15H2,1-2H3
InChIKey
CHIOIHPGTPFMQH-UHFFFAOYSA-N
Compound name
N,N-dimethylspiro[cyclopentane-3,2'-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

289.18304 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19032 171.3
[M+Na]+ 312.17226 177.7
[M-H]- 288.17576 181.0
[M+NH4]+ 307.21686 192.2
[M+K]+ 328.14620 174.9
[M+H-H2O]+ 272.18030 165.3
[M+HCOO]- 334.18124 191.6
[M+CH3COO]- 348.19689 182.7
[M+Na-2H]- 310.15771 175.6
[M]+ 289.18249 167.4
[M]- 289.18359 167.4
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

No patent data available for this compound.