CID 5274566

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

Structural Information

Molecular Formula
C30H28N4O2
SMILES
CCCCC1=CC(=CC=C1)C2=NC(=NO2)C3=CC=C(C=C3)N4C5C(C=CC4=O)N(C6=CC=CC=C56)C
InChI
InChI=1S/C30H28N4O2/c1-3-4-8-20-9-7-10-22(19-20)30-31-29(32-36-30)21-13-15-23(16-14-21)34-27(35)18-17-26-28(34)24-11-5-6-12-25(24)33(26)2/h5-7,9-19,26,28H,3-4,8H2,1-2H3
InChIKey
PXIYRRGAISRWHI-UHFFFAOYSA-N
Compound name
1-[4-[5-(3-butylphenyl)-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

476.22122 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.22850 221.5
[M+Na]+ 499.21044 229.9
[M-H]- 475.21394 231.8
[M+NH4]+ 494.25504 227.4
[M+K]+ 515.18438 221.8
[M+H-H2O]+ 459.21848 208.5
[M+HCOO]- 521.21942 234.6
[M+CH3COO]- 535.23507 228.7
[M+Na-2H]- 497.19589 216.9
[M]+ 476.22067 223.6
[M]- 476.22177 223.6
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.