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 199.4
[M+Na]+ 419.20937 202.1
[M-H]- 395.21287 209.6
[M+NH4]+ 414.25397 204.2
[M+K]+ 435.18331 202.8
[M+H-H2O]+ 379.21741 185.8
[M+HCOO]- 441.21835 214.6
[M+CH3COO]- 455.23400 206.7
[M+Na-2H]- 417.19482 200.7
[M]+ 396.21960 203.2
[M]- 396.22070 203.2
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.