CID 5743535

59377-74-1

Structural Information

Molecular Formula
C20H26N2O3
SMILES
C1CCC2=CC(=O)N(C2C1)C3=CC=C(C=C3)OCCN4CCOCC4
InChI
InChI=1S/C20H26N2O3/c23-20-15-16-3-1-2-4-19(16)22(20)17-5-7-18(8-6-17)25-14-11-21-9-12-24-13-10-21/h5-8,15,19H,1-4,9-14H2
InChIKey
BWPOSTCZAIFGAV-UHFFFAOYSA-N
Compound name
1-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6,7,7a-tetrahydro-4H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

342.19434 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.201616 182.6
[M+Na]+ 365.183558 185.7
[M-H]- 341.187064 189.1
[M+NH4]+ 360.228163 193.5
[M+K]+ 381.157498 182.1
[M+H-H2O]+ 325.191600 171.8
[M+HCOO]- 387.192541 195.1
[M+CH3COO]- 401.208191 190.7
[M+Na-2H]- 363.169006 182.0
[M]+ 342.19379142 178.1
[M]- 342.19488858 178.1
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

patents stripe