CID 3076367

130919-40-3

Structural Information

Molecular Formula
C21H26N2O7
SMILES
CC1=CC(=O)C2=C(C3=C(C(=C2O1)OC(C)C(=O)N)OC=C3)OCC(CNC(C)C)O
InChI
InChI=1S/C21H26N2O7/c1-10(2)23-8-13(24)9-28-17-14-5-6-27-18(14)20(30-12(4)21(22)26)19-16(17)15(25)7-11(3)29-19/h5-7,10,12-13,23-24H,8-9H2,1-4H3,(H2,22,26)
InChIKey
IKQDBMDVVAYHMJ-UHFFFAOYSA-N
Compound name
2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-7-methyl-5-oxofuro[3,2-g]chromen-9-yl]oxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.174 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.18128 201.3
[M+Na]+ 441.16322 207.3
[M-H]- 417.16672 206.8
[M+NH4]+ 436.20782 211.1
[M+K]+ 457.13716 208.2
[M+H-H2O]+ 401.17126 194.0
[M+HCOO]- 463.17220 218.7
[M+CH3COO]- 477.18785 233.8
[M+Na-2H]- 439.14867 201.0
[M]+ 418.17345 210.1
[M]- 418.17455 210.1
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.