CID 3044797

Brn 1600143

Structural Information

Molecular Formula
C27H23NO
SMILES
CN1C2=CC=CC=C2C=C3C1=C(CC3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H23NO/c1-28-24-15-9-8-14-21(24)18-22-16-17-23(26(22)28)27(29)25(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,18,25H,16-17H2,1H3
InChIKey
MAYCPSOCLJSFSS-UHFFFAOYSA-N
Compound name
1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)-2,2-diphenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.17798 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.18526 194.2
[M+Na]+ 400.16720 199.8
[M-H]- 376.17070 203.5
[M+NH4]+ 395.21180 207.2
[M+K]+ 416.14114 192.2
[M+H-H2O]+ 360.17524 183.4
[M+HCOO]- 422.17618 210.8
[M+CH3COO]- 436.19183 203.1
[M+Na-2H]- 398.15265 194.6
[M]+ 377.17743 192.4
[M]- 377.17853 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.