CID 112170

7-(4-(diethylamino)-2-ethoxyphenyl)-7-(1-ethyl-2-methyl-1h-indol-3-yl)furo[3,4-b]pyridin-5(7h)-one

Structural Information

Molecular Formula
C30H33N3O3
SMILES
CCN1C(=C(C2=CC=CC=C21)C3(C4=C(C=CC=N4)C(=O)O3)C5=C(C=C(C=C5)N(CC)CC)OCC)C
InChI
InChI=1S/C30H33N3O3/c1-6-32(7-2)21-16-17-24(26(19-21)35-9-4)30(28-23(29(34)36-30)14-12-18-31-28)27-20(5)33(8-3)25-15-11-10-13-22(25)27/h10-19H,6-9H2,1-5H3
InChIKey
RCVMSMLWRJESQC-UHFFFAOYSA-N
Compound name
7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3641
Patents

483.2522 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.25948 222.8
[M+Na]+ 506.24142 232.1
[M-H]- 482.24492 234.8
[M+NH4]+ 501.28602 234.4
[M+K]+ 522.21536 227.2
[M+H-H2O]+ 466.24946 212.2
[M+HCOO]- 528.25040 242.2
[M+CH3COO]- 542.26605 232.2
[M+Na-2H]- 504.22687 220.7
[M]+ 483.25165 232.1
[M]- 483.25275 232.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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