CID 18975

Diisopropylamino 3-methylflavone-8-carboxylate hydrochloride

Structural Information

Molecular Formula
C25H29NO4
SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN(C(C)C)C(C)C)C3=CC=CC=C3
InChI
InChI=1S/C25H29NO4/c1-16(2)26(17(3)4)14-15-29-25(28)21-13-9-12-20-22(27)18(5)23(30-24(20)21)19-10-7-6-8-11-19/h6-13,16-17H,14-15H2,1-5H3
InChIKey
PPZDMJCHEXUTND-UHFFFAOYSA-N
Compound name
2-[di(propan-2-yl)amino]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

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.21694 201.9
[M+Na]+ 430.19888 207.2
[M-H]- 406.20238 211.0
[M+NH4]+ 425.24348 212.4
[M+K]+ 446.17282 205.9
[M+H-H2O]+ 390.20692 192.1
[M+HCOO]- 452.20786 220.7
[M+CH3COO]- 466.22351 234.4
[M+Na-2H]- 428.18433 201.2
[M]+ 407.20911 208.4
[M]- 407.21021 208.4
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.