CID 42408

Brn 0446079

Structural Information

Molecular Formula
C25H24N2
SMILES
CN(C)CC1=C(N2C3=CC=CC=C3CCC4=C2C1=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H24N2/c1-26(2)17-22-21-13-8-12-20-16-15-18-9-6-7-14-23(18)27(24(20)21)25(22)19-10-4-3-5-11-19/h3-14H,15-17H2,1-2H3
InChIKey
LOCRWEKRIBPWKR-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(16-phenyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-15-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.19394 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.20122 190.1
[M+Na]+ 375.18316 198.3
[M-H]- 351.18666 200.3
[M+NH4]+ 370.22776 206.5
[M+K]+ 391.15710 194.7
[M+H-H2O]+ 335.19120 182.6
[M+HCOO]- 397.19214 210.3
[M+CH3COO]- 411.20779 200.7
[M+Na-2H]- 373.16861 194.4
[M]+ 352.19339 191.1
[M]- 352.19449 191.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.