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]+ 423.22783 206.2
[M+Na]+ 445.20977 206.7
[M-H]- 421.21327 213.4
[M+NH4]+ 440.25437 208.1
[M+K]+ 461.18371 202.9
[M+H-H2O]+ 405.21781 193.1
[M+HCOO]- 467.21875 214.5
[M+CH3COO]- 481.23440 211.3
[M+Na-2H]- 443.19522 204.3
[M]+ 422.22000 199.9
[M]- 422.22110 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.