CID 39687

50527-32-7

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]+ 291.133926 165.8
[M+Na]+ 313.115868 172.5
[M-H]- 289.119374 172.3
[M+NH4]+ 308.160473 180.7
[M+K]+ 329.089808 167.5
[M+H-H2O]+ 273.123910 162.6
[M+HCOO]- 335.124851 190.3
[M+CH3COO]- 349.140501 203.4
[M+Na-2H]- 311.101316 173.4
[M]+ 290.12610142 169.7
[M]- 290.12719858 169.7
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.