CID 3040449

7-methoxy-8-pyrrolidinomethyl-1-azaxanthone hydrochloride

Structural Information

Molecular Formula
C18H18N2O3
SMILES
COC1=C(C2=C(C=C1)C(=O)C3=C(O2)N=CC=C3)CN4CCCC4
InChI
InChI=1S/C18H18N2O3/c1-22-15-7-6-12-16(21)13-5-4-8-19-18(13)23-17(12)14(15)11-20-9-2-3-10-20/h4-8H,2-3,9-11H2,1H3
InChIKey
JQBYJANWYCCWMG-UHFFFAOYSA-N
Compound name
8-methoxy-9-(pyrrolidin-1-ylmethyl)chromeno[2,3-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.13174 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.139016 170.6
[M+Na]+ 333.120958 180.8
[M-H]- 309.124464 177.6
[M+NH4]+ 328.165563 185.2
[M+K]+ 349.094898 176.7
[M+H-H2O]+ 293.129000 161.3
[M+HCOO]- 355.129941 189.5
[M+CH3COO]- 369.145591 182.5
[M+Na-2H]- 331.106406 175.9
[M]+ 310.13119142 174.4
[M]- 310.13228858 174.4
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.