CID 3052634

69159-19-9

Structural Information

Molecular Formula
C27H28N2O
SMILES
CN(CC(=O)C1=CC=CC=C1)C2CN(C2)C3C4=CC=CC=C4CCC5=CC=CC=C35
InChI
InChI=1S/C27H28N2O/c1-28(19-26(30)22-11-3-2-4-12-22)23-17-29(18-23)27-24-13-7-5-9-20(24)15-16-21-10-6-8-14-25(21)27/h2-14,23,27H,15-19H2,1H3
InChIKey
GCWYWNBQMVGEKW-UHFFFAOYSA-N
Compound name
2-[methyl-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]amino]-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.22015 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.22743 198.7
[M+Na]+ 419.20937 207.3
[M+NH4]+ 414.25397 203.3
[M+K]+ 435.18331 200.7
[M-H]- 395.21287 203.1
[M+Na-2H]- 417.19482 204.2
[M]+ 396.21960 200.3
[M]- 396.22070 200.3
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.