CID 42406

Brn 0448298

Structural Information

Molecular Formula
C26H26N2
SMILES
CN(C)CCC1=C(C2=CC=CC3=C2N1C4=CC=CC=C4CC3)C5=CC=CC=C5
InChI
InChI=1S/C26H26N2/c1-27(2)18-17-24-25(20-10-4-3-5-11-20)22-13-8-12-21-16-15-19-9-6-7-14-23(19)28(24)26(21)22/h3-14H,15-18H2,1-2H3
InChIKey
XSJGUSVLDONBPZ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(15-phenyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.2096 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21688 191.1
[M+Na]+ 389.19882 205.8
[M+NH4]+ 384.24342 200.9
[M+K]+ 405.17276 197.8
[M-H]- 365.20232 197.9
[M+Na-2H]- 387.18427 198.8
[M]+ 366.20905 195.6
[M]- 366.21015 195.6
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.