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 169.7
[M+Na]+ 334.10497 179.3
[M-H]- 310.10847 176.6
[M+NH4]+ 329.14957 185.1
[M+K]+ 350.07891 177.1
[M+H-H2O]+ 294.11301 161.8
[M+HCOO]- 356.11395 191.2
[M+CH3COO]- 370.12960 211.8
[M+Na-2H]- 332.09042 176.3
[M]+ 311.11520 176.1
[M]- 311.11630 176.1
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.