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]+ 306.22164 174.1
[M+Na]+ 328.20358 178.1
[M-H]- 304.20708 182.5
[M+NH4]+ 323.24818 192.3
[M+K]+ 344.17752 176.1
[M+H-H2O]+ 288.21162 167.1
[M+HCOO]- 350.21256 190.6
[M+CH3COO]- 364.22821 183.8
[M+Na-2H]- 326.18903 178.8
[M]+ 305.21381 167.0
[M]- 305.21491 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.