CID 18979

3468-08-4

Structural Information

Molecular Formula
C24H27NO4
SMILES
CCN(CC)CCCOC(=O)C1=CC=CC2=C1OC(=C(C2=O)C)C3=CC=CC=C3
InChI
InChI=1S/C24H27NO4/c1-4-25(5-2)15-10-16-28-24(27)20-14-9-13-19-21(26)17(3)22(29-23(19)20)18-11-7-6-8-12-18/h6-9,11-14H,4-5,10,15-16H2,1-3H3
InChIKey
KXTRHCXQTXSNCH-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.194 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.20128 198.0
[M+Na]+ 416.18322 204.4
[M-H]- 392.18672 207.2
[M+NH4]+ 411.22782 209.2
[M+K]+ 432.15716 202.0
[M+H-H2O]+ 376.19126 187.9
[M+HCOO]- 438.19220 219.2
[M+CH3COO]- 452.20785 229.6
[M+Na-2H]- 414.16867 200.0
[M]+ 393.19345 205.3
[M]- 393.19455 205.3
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