CID 5274582

Schembl13674577

Structural Information

Molecular Formula
C23H20N4O4
SMILES
CCOC(=O)C1=NC(=NO1)C2=CC=C(C=C2)N3C4C(C=CC3=O)N(C5=CC=CC=C45)C
InChI
InChI=1S/C23H20N4O4/c1-3-30-23(29)22-24-21(25-31-22)14-8-10-15(11-9-14)27-19(28)13-12-18-20(27)16-6-4-5-7-17(16)26(18)2/h4-13,18,20H,3H2,1-2H3
InChIKey
JRLUFAMWQKPKEN-UHFFFAOYSA-N
Compound name
ethyl 3-[4-(5-methyl-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

416.14847 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.15575 200.4
[M+Na]+ 439.13769 209.4
[M-H]- 415.14119 208.4
[M+NH4]+ 434.18229 209.0
[M+K]+ 455.11163 204.8
[M+H-H2O]+ 399.14573 189.7
[M+HCOO]- 461.14667 214.5
[M+CH3COO]- 475.16232 209.4
[M+Na-2H]- 437.12314 198.1
[M]+ 416.14792 204.4
[M]- 416.14902 204.4
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.