CID 21941033

7,7-bis(4-(diethylamino)-2-ethoxyphenyl)furo[3,4-b]pyridin-5(7h)-one

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

1792
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 232.7
[M+Na]+ 540.28329 237.6
[M-H]- 516.28679 244.7
[M+NH4]+ 535.32789 241.3
[M+K]+ 556.25723 235.5
[M+H-H2O]+ 500.29133 220.9
[M+HCOO]- 562.29227 252.8
[M+CH3COO]- 576.30792 259.1
[M+Na-2H]- 538.26874 230.8
[M]+ 517.29352 242.4
[M]- 517.29462 242.4
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