CID 18973

Dipropylaminoethyl 3-methylflavone-8-carboxylate hydrochloride

Structural Information

Molecular Formula
C25H29NO4
SMILES
CCCN(CCC)CCOC(=O)C1=CC=CC2=C1OC(=C(C2=O)C)C3=CC=CC=C3
InChI
InChI=1S/C25H29NO4/c1-4-14-26(15-5-2)16-17-29-25(28)21-13-9-12-20-22(27)18(3)23(30-24(20)21)19-10-7-6-8-11-19/h6-13H,4-5,14-17H2,1-3H3
InChIKey
SDTLGWAEKHOECL-UHFFFAOYSA-N
Compound name
2-(dipropylamino)ethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.20966 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.21694 202.7
[M+Na]+ 430.19888 208.6
[M-H]- 406.20238 211.7
[M+NH4]+ 425.24348 213.3
[M+K]+ 446.17282 206.0
[M+H-H2O]+ 390.20692 192.4
[M+HCOO]- 452.20786 223.5
[M+CH3COO]- 466.22351 232.5
[M+Na-2H]- 428.18433 204.1
[M]+ 407.20911 210.3
[M]- 407.21021 210.3
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

No patent data available for this compound.