CID 5274541

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

Structural Information

Molecular Formula
C24H23N5O4
SMILES
CC(C)(C)C1=NC(=NO1)C2=CC3C(C4=CC=CC=C4N3C)N(C2=O)C5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C24H23N5O4/c1-24(2,3)23-25-21(26-33-23)17-13-19-20(16-7-5-6-8-18(16)27(19)4)28(22(17)30)14-9-11-15(12-10-14)29(31)32/h5-13,19-20H,1-4H3
InChIKey
ZWYHQMAMODXLRZ-UHFFFAOYSA-N
Compound name
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-methyl-1-(4-nitrophenyl)-4a,9b-dihydropyrido[3,2-b]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.17502 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.18230 210.3
[M+Na]+ 468.16424 217.4
[M-H]- 444.16774 218.8
[M+NH4]+ 463.20884 217.1
[M+K]+ 484.13818 208.7
[M+H-H2O]+ 428.17228 204.4
[M+HCOO]- 490.17322 223.6
[M+CH3COO]- 504.18887 227.9
[M+Na-2H]- 466.14969 212.8
[M]+ 445.17447 211.1
[M]- 445.17557 211.1
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.