CID 36901

34723-12-1

Structural Information

Molecular Formula
C20H30N2O4
SMILES
CC(C)C1=CC(=CC(=C(C1=O)O)CN2CCOCC2)CN3CCOCC3
InChI
InChI=1S/C20H30N2O4/c1-15(2)18-12-16(13-21-3-7-25-8-4-21)11-17(19(23)20(18)24)14-22-5-9-26-10-6-22/h11-12,15H,3-10,13-14H2,1-2H3,(H,23,24)
InChIKey
SCLKVZOWUNRDIX-UHFFFAOYSA-N
Compound name
2-hydroxy-3,5-bis(morpholin-4-ylmethyl)-7-propan-2-ylcyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

89
Patents

362.22055 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.22783 195.0
[M+Na]+ 385.20977 203.8
[M+NH4]+ 380.25437 199.6
[M+K]+ 401.18371 199.9
[M-H]- 361.21327 199.9
[M+Na-2H]- 383.19522 197.3
[M]+ 362.22000 197.5
[M]- 362.22110 197.5
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.