CID 163566

A(sub 12)

Structural Information

Molecular Formula
C25H21NO
SMILES
C1C2C3=CC=CC=C3C4(C1C(=O)CN4CC5=CC=CC=C5)C6=CC=CC=C26
InChI
InChI=1S/C25H21NO/c27-24-16-26(15-17-8-2-1-3-9-17)25-21-12-6-4-10-18(21)20(14-23(24)25)19-11-5-7-13-22(19)25/h1-13,20,23H,14-16H2
InChIKey
KOFLVDBWRHFSAB-UHFFFAOYSA-N
Compound name
15-benzyl-15-azapentacyclo[6.6.5.01,18.02,7.09,14]nonadeca-2,4,6,9,11,13-hexaen-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4930
Patents

351.16232 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16960 179.2
[M+Na]+ 374.15154 184.7
[M-H]- 350.15504 185.4
[M+NH4]+ 369.19614 198.4
[M+K]+ 390.12548 176.8
[M+H-H2O]+ 334.15958 166.6
[M+HCOO]- 396.16052 190.3
[M+CH3COO]- 410.17617 188.0
[M+Na-2H]- 372.13699 184.7
[M]+ 351.16177 179.0
[M]- 351.16287 179.0
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

patents stripe