CID 3049521

Brn 1649148

Structural Information

Molecular Formula
C15H18ClNO2
SMILES
CC1=C(C=C(C2=C1C(=O)C=C(O2)N(C)C)C(C)C)Cl
InChI
InChI=1S/C15H18ClNO2/c1-8(2)10-6-11(16)9(3)14-12(18)7-13(17(4)5)19-15(10)14/h6-8H,1-5H3
InChIKey
GBGFHHSSRCCOLY-UHFFFAOYSA-N
Compound name
6-chloro-2-(dimethylamino)-5-methyl-8-propan-2-ylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1026 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10988 161.4
[M+Na]+ 302.09182 176.9
[M+NH4]+ 297.13642 170.4
[M+K]+ 318.06576 169.9
[M-H]- 278.09532 166.6
[M+Na-2H]- 300.07727 167.2
[M]+ 279.10205 165.6
[M]- 279.10315 165.6
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.