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 174.2
[M+Na]+ 329.19882 178.9
[M-H]- 305.20232 179.8
[M+NH4]+ 324.24342 190.6
[M+K]+ 345.17276 177.2
[M+H-H2O]+ 289.20686 166.8
[M+HCOO]- 351.20780 189.7
[M+CH3COO]- 365.22345 183.7
[M+Na-2H]- 327.18427 179.6
[M]+ 306.20905 171.1
[M]- 306.21015 171.1
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.