CID 3043546

55680-86-9

Structural Information

Molecular Formula
C21H22N2O2
SMILES
CN(C)CC#CCC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4
InChI
InChI=1S/C21H22N2O2/c1-22(2)12-4-3-5-14-6-10-17(11-7-14)23-20(24)18-15-8-9-16(13-15)19(18)21(23)25/h6-11,15-16,18-19H,5,12-13H2,1-2H3
InChIKey
GQJCJBSHXYEJOI-UHFFFAOYSA-N
Compound name
4-[4-[4-(dimethylamino)but-2-ynyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.16812 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17540 181.8
[M+Na]+ 357.15734 191.1
[M+NH4]+ 352.20194 186.2
[M+K]+ 373.13128 185.8
[M-H]- 333.16084 175.9
[M+Na-2H]- 355.14279 179.8
[M]+ 334.16757 180.4
[M]- 334.16867 180.4
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.