CID 5277076

Schembl1043877

Structural Information

Molecular Formula
C23H26N2O4
SMILES
CCN(CC)C1=CC=CC=C1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CCO
InChI
InChI=1S/C23H26N2O4/c1-3-24(4-2)20-8-6-5-7-17(20)13-16-9-10-21-18(14-16)22(27)19(23(28)29)15-25(21)11-12-26/h5-10,14-15,26H,3-4,11-13H2,1-2H3,(H,28,29)
InChIKey
FZGCKJDSXCQUJZ-UHFFFAOYSA-N
Compound name
6-[[2-(diethylamino)phenyl]methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

394.18927 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19655 195.8
[M+Na]+ 417.17849 202.2
[M-H]- 393.18199 200.6
[M+NH4]+ 412.22309 205.6
[M+K]+ 433.15243 197.4
[M+H-H2O]+ 377.18653 185.9
[M+HCOO]- 439.18747 213.8
[M+CH3COO]- 453.20312 226.5
[M+Na-2H]- 415.16394 196.5
[M]+ 394.18872 199.5
[M]- 394.18982 199.5
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

patents stripe