CID 3041763

Brn 1165215

Structural Information

Molecular Formula
C21H24N2O4
SMILES
CN(C)C1=C(C(=O)C2=C(O1)C=CC3=C2C=C(C=C3)OC)CN4CCOCC4
InChI
InChI=1S/C21H24N2O4/c1-22(2)21-17(13-23-8-10-26-11-9-23)20(24)19-16-12-15(25-3)6-4-14(16)5-7-18(19)27-21/h4-7,12H,8-11,13H2,1-3H3
InChIKey
DFUXRALIEJSYGX-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-9-methoxy-2-(morpholin-4-ylmethyl)benzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1736 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18088 188.9
[M+Na]+ 391.16282 196.9
[M-H]- 367.16632 198.5
[M+NH4]+ 386.20742 199.4
[M+K]+ 407.13676 195.7
[M+H-H2O]+ 351.17086 178.0
[M+HCOO]- 413.17180 206.2
[M+CH3COO]- 427.18745 199.4
[M+Na-2H]- 389.14827 194.3
[M]+ 368.17305 193.7
[M]- 368.17415 193.7
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.