CID 3066198

109736-10-9

Structural Information

Molecular Formula
C29H31NO5
SMILES
CCCCNCC(COC1=CC=C(C=C1)C2=C(C(=O)OC3=C2C=CC(=C3)OC)C4=CC=CC=C4)O
InChI
InChI=1S/C29H31NO5/c1-3-4-16-30-18-22(31)19-34-23-12-10-21(11-13-23)27-25-15-14-24(33-2)17-26(25)35-29(32)28(27)20-8-6-5-7-9-20/h5-15,17,22,30-31H,3-4,16,18-19H2,1-2H3
InChIKey
LUOIYABVQOJGON-UHFFFAOYSA-N
Compound name
4-[4-[3-(butylamino)-2-hydroxypropoxy]phenyl]-7-methoxy-3-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.2202 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.227476 218.8
[M+Na]+ 496.209418 223.6
[M-H]- 472.212924 228.0
[M+NH4]+ 491.254023 224.7
[M+K]+ 512.183358 219.5
[M+H-H2O]+ 456.217460 206.9
[M+HCOO]- 518.218401 237.1
[M+CH3COO]- 532.234051 239.7
[M+Na-2H]- 494.194866 220.2
[M]+ 473.21965142 224.3
[M]- 473.22074858 224.3
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.