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]+ 419.181276 201.3
[M+Na]+ 441.163218 207.3
[M-H]- 417.166724 206.8
[M+NH4]+ 436.207823 211.1
[M+K]+ 457.137158 208.2
[M+H-H2O]+ 401.171260 194.0
[M+HCOO]- 463.172201 218.7
[M+CH3COO]- 477.187851 233.8
[M+Na-2H]- 439.148666 201.0
[M]+ 418.17345142 210.1
[M]- 418.17454858 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.