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]+ 306.22164 178.2
[M+Na]+ 328.20358 193.9
[M+NH4]+ 323.24818 190.7
[M+K]+ 344.17752 180.7
[M-H]- 304.20708 184.2
[M+Na-2H]- 326.18903 186.2
[M]+ 305.21381 182.7
[M]- 305.21491 182.7
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