CID 3051107

2h-1-benzopyran-2-one, 7-((4-(dimethylamino)-2-butynyl)oxy)-4-methyl-, hydrochloride

Structural Information

Molecular Formula
C16H17NO3
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCC#CCN(C)C
InChI
InChI=1S/C16H17NO3/c1-12-10-16(18)20-15-11-13(6-7-14(12)15)19-9-5-4-8-17(2)3/h6-7,10-11H,8-9H2,1-3H3
InChIKey
CSIUNWKWGKKPAG-UHFFFAOYSA-N
Compound name
7-[4-(dimethylamino)but-2-ynoxy]-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

271.12085 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12813 162.6
[M+Na]+ 294.11007 175.8
[M+NH4]+ 289.15467 166.9
[M+K]+ 310.08401 165.9
[M-H]- 270.11357 158.6
[M+Na-2H]- 292.09552 165.1
[M]+ 271.12030 162.6
[M]- 271.12140 162.6
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

patents stripe