CID 3063881

101771-75-9

Structural Information

Molecular Formula
C22H27N
SMILES
CC1C2CC3=CC=CC=C3C1(CCN2CCC4=CC=CC=C4)C
InChI
InChI=1S/C22H27N/c1-17-21-16-19-10-6-7-11-20(19)22(17,2)13-15-23(21)14-12-18-8-4-3-5-9-18/h3-11,17,21H,12-16H2,1-2H3
InChIKey
SGXBPYRLEVHESA-UHFFFAOYSA-N
Compound name
1,13-dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

305.21436 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.221636 177.2
[M+Na]+ 328.203578 182.9
[M-H]- 304.207084 181.4
[M+NH4]+ 323.248183 195.0
[M+K]+ 344.177518 176.2
[M+H-H2O]+ 288.211620 166.9
[M+HCOO]- 350.212561 190.7
[M+CH3COO]- 364.228211 186.4
[M+Na-2H]- 326.189026 182.1
[M]+ 305.21381142 174.0
[M]- 305.21490858 174.0
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

patents stripe