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]+ 369.180876 185.8
[M+Na]+ 391.162818 191.5
[M-H]- 367.166324 193.7
[M+NH4]+ 386.207423 201.5
[M+K]+ 407.136758 188.1
[M+H-H2O]+ 351.170860 178.9
[M+HCOO]- 413.171801 199.6
[M+CH3COO]- 427.187451 195.3
[M+Na-2H]- 389.148266 181.4
[M]+ 368.17305142 186.0
[M]- 368.17414858 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.