CID 209301

19701-61-2

Structural Information

Molecular Formula
C21H26N2
SMILES
CN(C)CCN1CC2C3=CC=CC=C3CCC4=C2C(=CC=C4)C1
InChI
InChI=1S/C21H26N2/c1-22(2)12-13-23-14-18-8-5-7-17-11-10-16-6-3-4-9-19(16)20(15-23)21(17)18/h3-9,20H,10-15H2,1-2H3
InChIKey
ZRTXIXOBZWDZPB-UHFFFAOYSA-N
Compound name
2-(16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-16-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.2096 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21688 172.8
[M+Na]+ 329.19882 184.8
[M+NH4]+ 324.24342 182.5
[M+K]+ 345.17276 176.8
[M-H]- 305.20232 177.4
[M+Na-2H]- 327.18427 178.0
[M]+ 306.20905 176.0
[M]- 306.21015 176.0
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.