CID 5274548

Schembl13505126

Structural Information

Molecular Formula
C20H16N4O2
SMILES
CN1C2C=CC(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)C5=NOC=N5
InChI
InChI=1S/C20H16N4O2/c1-23-16-5-3-2-4-15(16)19-17(23)10-11-18(25)24(19)14-8-6-13(7-9-14)20-21-12-26-22-20/h2-12,17,19H,1H3
InChIKey
ZPXLTHZGUNZROX-UHFFFAOYSA-N
Compound name
5-methyl-1-[4-(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

1
Patents

344.12732 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13460 181.8
[M+Na]+ 367.11654 192.2
[M-H]- 343.12004 189.7
[M+NH4]+ 362.16114 193.6
[M+K]+ 383.09048 186.5
[M+H-H2O]+ 327.12458 171.2
[M+HCOO]- 389.12552 197.7
[M+CH3COO]- 403.14117 192.3
[M+Na-2H]- 365.10199 182.4
[M]+ 344.12677 183.2
[M]- 344.12787 183.2
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

patents stripe