CID 39687

4-dipropylamino-3-nitrocoumarin

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CCCN(CCC)C1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-]
InChI
InChI=1S/C15H18N2O4/c1-3-9-16(10-4-2)13-11-7-5-6-8-12(11)21-15(18)14(13)17(19)20/h5-8H,3-4,9-10H2,1-2H3
InChIKey
YXNQAAAQDAFEDN-UHFFFAOYSA-N
Compound name
4-(dipropylamino)-3-nitrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

290.12665 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13393 164.1
[M+Na]+ 313.11587 177.8
[M+NH4]+ 308.16047 171.6
[M+K]+ 329.08981 174.0
[M-H]- 289.11937 169.7
[M+Na-2H]- 311.10132 169.3
[M]+ 290.12610 167.5
[M]- 290.12720 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.