CID 3051105

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

Structural Information

Molecular Formula
C18H19NO4
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCC#CCN3CCOCC3
InChI
InChI=1S/C18H19NO4/c1-14-12-18(20)23-17-13-15(4-5-16(14)17)22-9-3-2-6-19-7-10-21-11-8-19/h4-5,12-13H,6-11H2,1H3
InChIKey
HTMYLWNVZTYLII-UHFFFAOYSA-N
Compound name
4-methyl-7-(4-morpholin-4-ylbut-2-ynoxy)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

313.1314 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13868 175.7
[M+Na]+ 336.12062 189.4
[M+NH4]+ 331.16522 179.5
[M+K]+ 352.09456 179.1
[M-H]- 312.12412 173.1
[M+Na-2H]- 334.10607 177.6
[M]+ 313.13085 176.2
[M]- 313.13195 176.2
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