CID 3039885

Spiro(5h-dibenzo(a,d)cycloheptene-5,1'-cyclohexan)-4'-amine, 10,11-dihydro-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C22H27N
SMILES
CN(C)C1CCC2(CC1)C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C22H27N/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/h3-10,19H,11-16H2,1-2H3
InChIKey
DRZRUUFHTGNMKI-UHFFFAOYSA-N
Compound name
N,N-dimethylspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.21436 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.221636 174.1
[M+Na]+ 328.203578 178.1
[M-H]- 304.207084 182.5
[M+NH4]+ 323.248183 192.3
[M+K]+ 344.177518 176.1
[M+H-H2O]+ 288.211620 167.1
[M+HCOO]- 350.212561 190.6
[M+CH3COO]- 364.228211 183.8
[M+Na-2H]- 326.189026 178.8
[M]+ 305.21381142 167.0
[M]- 305.21490858 167.0
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.