CID 216068

Nsc 288021

Structural Information

Molecular Formula
C20H24N2
SMILES
CN(C)CCC1C2CC3=CC=CC=C3C(N1)C4=CC=CC=C24
InChI
InChI=1S/C20H24N2/c1-22(2)12-11-19-18-13-14-7-3-4-8-15(14)20(21-19)17-10-6-5-9-16(17)18/h3-10,18-21H,11-13H2,1-2H3
InChIKey
TWXFAHHVOHIGKM-UHFFFAOYSA-N
Compound name
2-(16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-17-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.19394 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.20122 178.1
[M+Na]+ 315.18316 186.0
[M-H]- 291.18666 182.8
[M+NH4]+ 310.22776 195.4
[M+K]+ 331.15710 182.1
[M+H-H2O]+ 275.19120 176.4
[M+HCOO]- 337.19214 189.7
[M+CH3COO]- 351.20779 186.7
[M+Na-2H]- 313.16861 185.6
[M]+ 292.19339 177.4
[M]- 292.19449 177.4
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.