CID 5274577

3-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5,9b-dihydro-4ah-pyrido[3,2-b]indol-2-one

Structural Information

Molecular Formula
C23H18N6O3
SMILES
CC1=NC(=NO1)C2=CC=C(C=C2)N3C4C(C=C(C3=O)C5=NOC(=N5)C)NC6=CC=CC=C46
InChI
InChI=1S/C23H18N6O3/c1-12-24-21(27-31-12)14-7-9-15(10-8-14)29-20-16-5-3-4-6-18(16)26-19(20)11-17(23(29)30)22-25-13(2)32-28-22/h3-11,19-20,26H,1-2H3
InChIKey
VPXPPPGXXOUDMO-UHFFFAOYSA-N
Compound name
3-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5,9b-dihydro-4aH-pyrido[3,2-b]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.14404 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.15132 200.1
[M+Na]+ 449.13326 211.9
[M-H]- 425.13676 209.9
[M+NH4]+ 444.17786 205.7
[M+K]+ 465.10720 206.3
[M+H-H2O]+ 409.14130 190.0
[M+HCOO]- 471.14224 213.2
[M+CH3COO]- 485.15789 209.2
[M+Na-2H]- 447.11871 195.9
[M]+ 426.14349 204.2
[M]- 426.14459 204.2
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.