CID 54707951

Chembl205116

Structural Information

Molecular Formula
C16H20N2O4
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)O2)C(=O)NCCCCCCN)O
InChI
InChI=1S/C16H20N2O4/c17-9-5-1-2-6-10-18-15(20)13-14(19)11-7-3-4-8-12(11)22-16(13)21/h3-4,7-8,19H,1-2,5-6,9-10,17H2,(H,18,20)
InChIKey
UEUKMTGCAGBKEG-UHFFFAOYSA-N
Compound name
N-(6-aminohexyl)-4-hydroxy-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

304.1423 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14958 170.6
[M+Na]+ 327.13152 177.0
[M-H]- 303.13502 173.8
[M+NH4]+ 322.17612 184.0
[M+K]+ 343.10546 174.1
[M+H-H2O]+ 287.13956 162.9
[M+HCOO]- 349.14050 191.7
[M+CH3COO]- 363.15615 207.8
[M+Na-2H]- 325.11697 175.1
[M]+ 304.14175 172.9
[M]- 304.14285 172.9
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.