CID 127564

100343-98-4

Structural Information

Molecular Formula
C14H17N3O3
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NN
InChI
InChI=1S/C14H17N3O3/c1-3-17(4-2)10-6-5-9-7-11(13(18)16-15)14(19)20-12(9)8-10/h5-8H,3-4,15H2,1-2H3,(H,16,18)
InChIKey
LYBMHAINSFEHRL-UHFFFAOYSA-N
Compound name
7-(diethylamino)-2-oxochromene-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

321
Patents

275.12698 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.13426 163.2
[M+Na]+ 298.11620 170.3
[M-H]- 274.11970 169.6
[M+NH4]+ 293.16080 178.8
[M+K]+ 314.09014 169.6
[M+H-H2O]+ 258.12424 155.3
[M+HCOO]- 320.12518 187.8
[M+CH3COO]- 334.14083 210.4
[M+Na-2H]- 296.10165 168.6
[M]+ 275.12643 165.6
[M]- 275.12753 165.6
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

patents stripe