CID 3053390

69844-19-5

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CCN(CC)CCCOC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4
InChI
InChI=1S/C22H28N2O3/c1-3-23(4-2)12-5-13-27-18-10-8-17(9-11-18)24-21(25)19-15-6-7-16(14-15)20(19)22(24)26/h6-11,15-16,19-20H,3-5,12-14H2,1-2H3
InChIKey
XGUNRFOZXBMPHA-UHFFFAOYSA-N
Compound name
4-[4-[3-(diethylamino)propoxy]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

368.21 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 191.9
[M+Na]+ 391.19922 198.0
[M-H]- 367.20272 199.0
[M+NH4]+ 386.24382 211.3
[M+K]+ 407.17316 194.1
[M+H-H2O]+ 351.20726 185.6
[M+HCOO]- 413.20820 211.8
[M+CH3COO]- 427.22385 224.7
[M+Na-2H]- 389.18467 188.0
[M]+ 368.20945 197.1
[M]- 368.21055 197.1
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.