CID 3058834

75643-16-2

Structural Information

Molecular Formula
C27H29N3O
SMILES
CN(C)CC(=O)N1C(C2=CC=CC3=C2N(CC3)C4=CC=CC=C41)CCC5=CC=CC=C5
InChI
InChI=1S/C27H29N3O/c1-28(2)19-26(31)30-23(16-15-20-9-4-3-5-10-20)22-12-8-11-21-17-18-29(27(21)22)24-13-6-7-14-25(24)30/h3-14,23H,15-19H2,1-2H3
InChIKey
OBUQRHUKYDYCEK-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-[9-(2-phenylethyl)-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.23105 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.23833 202.4
[M+Na]+ 434.22027 214.2
[M+NH4]+ 429.26487 210.2
[M+K]+ 450.19421 207.9
[M-H]- 410.22377 207.1
[M+Na-2H]- 432.20572 207.1
[M]+ 411.23050 205.6
[M]- 411.23160 205.6
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.