CID 54689759

3-[(e)-3-(4-dimethylaminophenyl)prop-2-enoyl]-4-hydroxy-8-isopropyl-5-methyl-chromen-2-one

Structural Information

Molecular Formula
C24H25NO4
SMILES
CC1=C2C(=C(C(=O)OC2=C(C=C1)C(C)C)C(=O)/C=C/C3=CC=C(C=C3)N(C)C)O
InChI
InChI=1S/C24H25NO4/c1-14(2)18-12-6-15(3)20-22(27)21(24(28)29-23(18)20)19(26)13-9-16-7-10-17(11-8-16)25(4)5/h6-14,27H,1-5H3/b13-9+
InChIKey
DJNGVSJSMYTBIX-UKTHLTGXSA-N
Compound name
3-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-4-hydroxy-5-methyl-8-propan-2-ylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.17834 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.18562 195.8
[M+Na]+ 414.16756 203.5
[M-H]- 390.17106 204.6
[M+NH4]+ 409.21216 206.9
[M+K]+ 430.14150 200.7
[M+H-H2O]+ 374.17560 186.9
[M+HCOO]- 436.17654 214.6
[M+CH3COO]- 450.19219 230.4
[M+Na-2H]- 412.15301 195.0
[M]+ 391.17779 201.0
[M]- 391.17889 201.0
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.