CID 5274575

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

Structural Information

Molecular Formula
C28H24N4O4
SMILES
CN1C2C=CC(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)C5=NOC(=N5)C6=CC(=C(C=C6)OC)OC
InChI
InChI=1S/C28H24N4O4/c1-31-21-7-5-4-6-20(21)26-22(31)13-15-25(33)32(26)19-11-8-17(9-12-19)27-29-28(36-30-27)18-10-14-23(34-2)24(16-18)35-3/h4-16,22,26H,1-3H3
InChIKey
ZKHNMISZNURAHO-UHFFFAOYSA-N
Compound name
1-[4-[5-(3,4-dimethoxyphenyl)-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

480.17975 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.18703 218.7
[M+Na]+ 503.16897 228.1
[M-H]- 479.17247 229.9
[M+NH4]+ 498.21357 224.4
[M+K]+ 519.14291 222.2
[M+H-H2O]+ 463.17701 206.3
[M+HCOO]- 525.17795 232.6
[M+CH3COO]- 539.19360 226.7
[M+Na-2H]- 501.15442 214.9
[M]+ 480.17920 223.4
[M]- 480.18030 223.4
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

No patent data available for this compound.