CID 3042379

Brn 1140650

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CC1=NC2=C(C=C1)C(C3=CC=CC=C3O2)(CCCN(C)C)O
InChI
InChI=1S/C18H22N2O2/c1-13-9-10-15-17(19-13)22-16-8-5-4-7-14(16)18(15,21)11-6-12-20(2)3/h4-5,7-10,21H,6,11-12H2,1-3H3
InChIKey
WLGGYIJORGCEJS-UHFFFAOYSA-N
Compound name
5-[3-(dimethylamino)propyl]-2-methylchromeno[2,3-b]pyridin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 171.5
[M+Na]+ 321.15734 179.4
[M-H]- 297.16084 176.0
[M+NH4]+ 316.20194 188.1
[M+K]+ 337.13128 176.7
[M+H-H2O]+ 281.16538 163.0
[M+HCOO]- 343.16632 189.2
[M+CH3COO]- 357.18197 209.4
[M+Na-2H]- 319.14279 179.0
[M]+ 298.16757 174.6
[M]- 298.16867 174.6
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.