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]+ 311.13902 170.7
[M+Na]+ 333.12096 187.0
[M+NH4]+ 328.16556 179.2
[M+K]+ 349.09490 180.8
[M-H]- 309.12446 176.2
[M+Na-2H]- 331.10641 177.4
[M]+ 310.13119 174.7
[M]- 310.13229 174.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.