CID 6452138

49556-25-4

Structural Information

Molecular Formula
C15H17N3O4
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NC(=O)N
InChI
InChI=1S/C15H17N3O4/c1-3-18(4-2)10-6-5-9-7-11(13(19)17-15(16)21)14(20)22-12(9)8-10/h5-8H,3-4H2,1-2H3,(H3,16,17,19,21)
InChIKey
RGVDWMORKKYCMS-UHFFFAOYSA-N
Compound name
N-carbamoyl-7-(diethylamino)-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.12192 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.129196 170.0
[M+Na]+ 326.111138 176.6
[M-H]- 302.114644 176.3
[M+NH4]+ 321.155743 184.2
[M+K]+ 342.085078 176.3
[M+H-H2O]+ 286.119180 161.9
[M+HCOO]- 348.120121 193.6
[M+CH3COO]- 362.135771 215.3
[M+Na-2H]- 324.096586 173.8
[M]+ 303.12137142 172.8
[M]- 303.12246858 172.8
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.