CID 5274571

1-[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-4a,9b-dihydropyrido[3,2-b]indol-2-one

Structural Information

Molecular Formula
C27H22N4O3
SMILES
CN1C2C=CC(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)C5=NOC(=N5)C6=CC=C(C=C6)OC
InChI
InChI=1S/C27H22N4O3/c1-30-22-6-4-3-5-21(22)25-23(30)15-16-24(32)31(25)19-11-7-17(8-12-19)26-28-27(34-29-26)18-9-13-20(33-2)14-10-18/h3-16,23,25H,1-2H3
InChIKey
IPLWLXQQDPTLRH-UHFFFAOYSA-N
Compound name
1-[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-4a,9b-dihydropyrido[3,2-b]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.1692 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.17648 210.9
[M+Na]+ 473.15842 220.4
[M-H]- 449.16192 221.9
[M+NH4]+ 468.20302 217.8
[M+K]+ 489.13236 213.8
[M+H-H2O]+ 433.16646 198.5
[M+HCOO]- 495.16740 225.2
[M+CH3COO]- 509.18305 219.3
[M+Na-2H]- 471.14387 208.1
[M]+ 450.16865 213.6
[M]- 450.16975 213.6
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.