CID 5745814

63868-41-7

Structural Information

Molecular Formula
C24H27NO
SMILES
C1CCC23CCN([C@@H]([C@H]2C1)CC4=CC=CC=C34)CC(=O)C5=CC=CC=C5
InChI
InChI=1S/C24H27NO/c26-23(18-8-2-1-3-9-18)17-25-15-14-24-13-7-6-12-21(24)22(25)16-19-10-4-5-11-20(19)24/h1-5,8-11,21-22H,6-7,12-17H2/t21-,22-,24?/m1/s1
InChIKey
ITXANQIUMVABEM-GNLJQLLCSA-N
Compound name
2-[(9R,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-17-yl]-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.20926 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.21654 188.2
[M+Na]+ 368.19848 202.4
[M+NH4]+ 363.24308 200.1
[M+K]+ 384.17242 189.9
[M-H]- 344.20198 194.7
[M+Na-2H]- 366.18393 195.7
[M]+ 345.20871 192.4
[M]- 345.20981 192.4
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.