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

7
Patents

313.1314 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.138676 168.7
[M+Na]+ 336.120618 178.4
[M-H]- 312.124124 172.5
[M+NH4]+ 331.165223 178.6
[M+K]+ 352.094558 173.3
[M+H-H2O]+ 296.128660 153.6
[M+HCOO]- 358.129601 179.8
[M+CH3COO]- 372.145251 177.7
[M+Na-2H]- 334.106066 172.9
[M]+ 313.13085142 164.8
[M]- 313.13194858 164.8
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