CID 5274574

2h-pyrido[3,2-b]indol-2-one, 1,4a,5,9b-tetrahydro-5-methyl-1-[4-[5-(5-methyl-3-isoxazolyl)-1,2,4-oxadiazol-3-yl]phenyl]-

Structural Information

Molecular Formula
C24H19N5O3
SMILES
CC1=CC(=NO1)C2=NC(=NO2)C3=CC=C(C=C3)N4C5C(C=CC4=O)N(C6=CC=CC=C56)C
InChI
InChI=1S/C24H19N5O3/c1-14-13-18(26-31-14)24-25-23(27-32-24)15-7-9-16(10-8-15)29-21(30)12-11-20-22(29)17-5-3-4-6-19(17)28(20)2/h3-13,20,22H,1-2H3
InChIKey
LTOAVZFJRNUSDV-UHFFFAOYSA-N
Compound name
5-methyl-1-[4-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-4a,9b-dihydropyrido[3,2-b]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.1488 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.15608 200.4
[M+Na]+ 448.13802 212.3
[M-H]- 424.14152 212.4
[M+NH4]+ 443.18262 208.1
[M+K]+ 464.11196 207.5
[M+H-H2O]+ 408.14606 190.5
[M+HCOO]- 470.14700 216.0
[M+CH3COO]- 484.16265 210.5
[M+Na-2H]- 446.12347 196.4
[M]+ 425.14825 206.0
[M]- 425.14935 206.0
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.