CID 3071770

4h-1-benzopyran-4-one, 7-methoxy-3-methyl-8-(4-morpholinylmethyl)-2-(phenylmethyl)-, hydrochloride

Structural Information

Molecular Formula
C23H25NO4
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCOCC3)OC)CC4=CC=CC=C4
InChI
InChI=1S/C23H25NO4/c1-16-21(14-17-6-4-3-5-7-17)28-23-18(22(16)25)8-9-20(26-2)19(23)15-24-10-12-27-13-11-24/h3-9H,10-15H2,1-2H3
InChIKey
RLZVSCSLSZIMBN-UHFFFAOYSA-N
Compound name
2-benzyl-7-methoxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.17834 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 193.7
[M+Na]+ 402.16756 200.7
[M-H]- 378.17106 203.7
[M+NH4]+ 397.21216 202.1
[M+K]+ 418.14150 198.0
[M+H-H2O]+ 362.17560 182.4
[M+HCOO]- 424.17654 209.1
[M+CH3COO]- 438.19219 203.2
[M+Na-2H]- 400.15301 196.6
[M]+ 379.17779 195.9
[M]- 379.17889 195.9
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.