CID 54688403

Diarbarone

Structural Information

Molecular Formula
C16H20N2O4
SMILES
CCN(CC)CCNC(=O)C1=C(C2=CC=CC=C2OC1=O)O
InChI
InChI=1S/C16H20N2O4/c1-3-18(4-2)10-9-17-15(20)13-14(19)11-7-5-6-8-12(11)22-16(13)21/h5-8,19H,3-4,9-10H2,1-2H3,(H,17,20)
InChIKey
OGWJLWKFDHLZHV-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

75
Patents

304.1423 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.149576 170.6
[M+Na]+ 327.131518 177.2
[M-H]- 303.135024 175.9
[M+NH4]+ 322.176123 184.9
[M+K]+ 343.105458 176.0
[M+H-H2O]+ 287.139560 162.8
[M+HCOO]- 349.140501 192.9
[M+CH3COO]- 363.156151 211.5
[M+Na-2H]- 325.116966 175.3
[M]+ 304.14175142 175.1
[M]- 304.14284858 175.1
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