CID 3070247

4'-chloro-7-methoxy-3-methyl-8-(1-pyrrolidinylmethyl)flavone

Structural Information

Molecular Formula
C22H22ClNO3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCCC3)OC)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H22ClNO3/c1-14-20(25)17-9-10-19(26-2)18(13-24-11-3-4-12-24)22(17)27-21(14)15-5-7-16(23)8-6-15/h5-10H,3-4,11-13H2,1-2H3
InChIKey
QTHOHQGKFKGDKD-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-7-methoxy-3-methyl-8-(pyrrolidin-1-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1288 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13608 190.2
[M+Na]+ 406.11802 207.4
[M+NH4]+ 401.16262 198.9
[M+K]+ 422.09196 199.8
[M-H]- 382.12152 198.0
[M+Na-2H]- 404.10347 197.8
[M]+ 383.12825 195.4
[M]- 383.12935 195.4
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.

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No patent data available for this compound.