CID 9844749

Ap-2238

Structural Information

Molecular Formula
C26H25NO4
SMILES
CN(CC1=CC=CC=C1)CC2=CC=C(C=C2)C3=CC4=CC(=C(C=C4OC3=O)OC)OC
InChI
InChI=1S/C26H25NO4/c1-27(16-18-7-5-4-6-8-18)17-19-9-11-20(12-10-19)22-13-21-14-24(29-2)25(30-3)15-23(21)31-26(22)28/h4-15H,16-17H2,1-3H3
InChIKey
KXMCSAUVAHKCOR-UHFFFAOYSA-N
Compound name
3-[4-[[benzyl(methyl)amino]methyl]phenyl]-6,7-dimethoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

14
Patents

415.17834 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.18562 203.5
[M+Na]+ 438.16756 210.9
[M-H]- 414.17106 216.0
[M+NH4]+ 433.21216 213.3
[M+K]+ 454.14150 208.0
[M+H-H2O]+ 398.17560 191.8
[M+HCOO]- 460.17654 225.7
[M+CH3COO]- 474.19219 233.3
[M+Na-2H]- 436.15301 206.9
[M]+ 415.17779 210.2
[M]- 415.17889 210.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe