CID 3044967

Brn 1657030

Structural Information

Molecular Formula
C18H17NO4
SMILES
CCN(CC)C1=CC(=O)C2=C(O1)C=CC3=C2C=CC(=C3)C(=O)O
InChI
InChI=1S/C18H17NO4/c1-3-19(4-2)16-10-14(20)17-13-7-5-12(18(21)22)9-11(13)6-8-15(17)23-16/h5-10H,3-4H2,1-2H3,(H,21,22)
InChIKey
HFASGPGUDPHYRQ-UHFFFAOYSA-N
Compound name
3-(diethylamino)-1-oxobenzo[f]chromene-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.11575 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12303 169.2
[M+Na]+ 334.10497 184.3
[M+NH4]+ 329.14957 176.9
[M+K]+ 350.07891 177.7
[M-H]- 310.10847 173.9
[M+Na-2H]- 332.09042 175.1
[M]+ 311.11520 172.8
[M]- 311.11630 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.