CID 3068513

83494-80-8

Structural Information

Molecular Formula
C22H25N3O3
SMILES
CN(C)CCCN(CCC#N)C(=O)C1=COC2=C1C(=O)C3=CC=CC=C3CC2
InChI
InChI=1S/C22H25N3O3/c1-24(2)12-6-14-25(13-5-11-23)22(27)18-15-28-19-10-9-16-7-3-4-8-17(16)21(26)20(18)19/h3-4,7-8,15H,5-6,9-10,12-14H2,1-2H3
InChIKey
SAFXALBGPPVKEG-UHFFFAOYSA-N
Compound name
N-(2-cyanoethyl)-N-[3-(dimethylamino)propyl]-2-oxo-6-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1896 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19688 196.2
[M+Na]+ 402.17882 203.4
[M+NH4]+ 397.22342 198.8
[M+K]+ 418.15276 196.9
[M-H]- 378.18232 192.5
[M+Na-2H]- 400.16427 195.3
[M]+ 379.18905 195.3
[M]- 379.19015 195.3
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.