CID 3040451

7-methoxy-8-morpholinomethyl-1-azaxanthone hydrochloride

Structural Information

Molecular Formula
C18H18N2O4
SMILES
COC1=C(C2=C(C=C1)C(=O)C3=C(O2)N=CC=C3)CN4CCOCC4
InChI
InChI=1S/C18H18N2O4/c1-22-15-5-4-12-16(21)13-3-2-6-19-18(13)24-17(12)14(15)11-20-7-9-23-10-8-20/h2-6H,7-11H2,1H3
InChIKey
CGSFNCVFIQMNHU-UHFFFAOYSA-N
Compound name
8-methoxy-9-(morpholin-4-ylmethyl)chromeno[2,3-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.12665 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.133926 175.1
[M+Na]+ 349.115868 184.4
[M-H]- 325.119374 182.1
[M+NH4]+ 344.160473 185.4
[M+K]+ 365.089808 182.0
[M+H-H2O]+ 309.123910 164.1
[M+HCOO]- 371.124851 190.7
[M+CH3COO]- 385.140501 185.9
[M+Na-2H]- 347.101316 182.8
[M]+ 326.12610142 178.5
[M]- 326.12719858 178.5
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.