CID 5925318

Nsc681132

Structural Information

Molecular Formula
C25H30N2O4
SMILES
C1COCCN1CC2=CC(=CC(=C2O)CN3CCOCC3)C(=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C25H30N2O4/c28-24(7-6-20-4-2-1-3-5-20)21-16-22(18-26-8-12-30-13-9-26)25(29)23(17-21)19-27-10-14-31-15-11-27/h1-7,16-17,29H,8-15,18-19H2/b7-6+
InChIKey
QIWRCEIMHKJKJJ-VOTSOKGWSA-N
Compound name
(E)-1-[4-hydroxy-3,5-bis(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.22055 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.227826 206.2
[M+Na]+ 445.209768 206.7
[M-H]- 421.213274 213.4
[M+NH4]+ 440.254373 208.1
[M+K]+ 461.183708 202.9
[M+H-H2O]+ 405.217810 193.1
[M+HCOO]- 467.218751 214.5
[M+CH3COO]- 481.234401 211.3
[M+Na-2H]- 443.195216 204.3
[M]+ 422.22000142 199.9
[M]- 422.22109858 199.9
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.