CID 18973

3468-05-1

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]+ 408.216936 202.7
[M+Na]+ 430.198878 208.6
[M-H]- 406.202384 211.7
[M+NH4]+ 425.243483 213.3
[M+K]+ 446.172818 206.0
[M+H-H2O]+ 390.206920 192.4
[M+HCOO]- 452.207861 223.5
[M+CH3COO]- 466.223511 232.5
[M+Na-2H]- 428.184326 204.1
[M]+ 407.20911142 210.3
[M]- 407.21020858 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.