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]+ 314.13868 168.7
[M+Na]+ 336.12062 178.4
[M-H]- 312.12412 172.5
[M+NH4]+ 331.16522 178.6
[M+K]+ 352.09456 173.3
[M+H-H2O]+ 296.12866 153.6
[M+HCOO]- 358.12960 179.8
[M+CH3COO]- 372.14525 177.7
[M+Na-2H]- 334.10607 172.9
[M]+ 313.13085 164.8
[M]- 313.13195 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