CID 3053383

69844-14-0

Structural Information

Molecular Formula
C21H24N2O4
SMILES
C1COCCN1CCOC2=CC=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C=C5
InChI
InChI=1S/C21H24N2O4/c24-20-18-14-1-2-15(13-14)19(18)21(25)23(20)16-3-5-17(6-4-16)27-12-9-22-7-10-26-11-8-22/h1-6,14-15,18-19H,7-13H2
InChIKey
ZWLNRVVCONMQGS-UHFFFAOYSA-N
Compound name
4-[4-(2-morpholin-4-ylethoxy)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

368.1736 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18088 185.8
[M+Na]+ 391.16282 191.5
[M-H]- 367.16632 193.7
[M+NH4]+ 386.20742 201.5
[M+K]+ 407.13676 188.1
[M+H-H2O]+ 351.17086 178.9
[M+HCOO]- 413.17180 199.6
[M+CH3COO]- 427.18745 195.3
[M+Na-2H]- 389.14827 181.4
[M]+ 368.17305 186.0
[M]- 368.17415 186.0
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.