CID 21941033

132467-74-4

Structural Information

Molecular Formula
C31H39N3O4
SMILES
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC=N3)C(=O)O2)C4=C(C=C(C=C4)N(CC)CC)OCC)OCC
InChI
InChI=1S/C31H39N3O4/c1-7-33(8-2)22-15-17-25(27(20-22)36-11-5)31(29-24(30(35)38-31)14-13-19-32-29)26-18-16-23(34(9-3)10-4)21-28(26)37-12-6/h13-21H,7-12H2,1-6H3
InChIKey
SKVLHBJJOXTLKQ-UHFFFAOYSA-N
Compound name
7,7-bis[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1664
Patents

517.29407 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.30135 231.1
[M+Na]+ 540.28329 243.7
[M+NH4]+ 535.32789 238.2
[M+K]+ 556.25723 235.6
[M-H]- 516.28679 239.2
[M+Na-2H]- 538.26874 238.3
[M]+ 517.29352 235.4
[M]- 517.29462 235.4
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

patents stripe