CID 5274580

Schembl13505269

Structural Information

Molecular Formula
C21H18N4O3
SMILES
CN1C2C=CC(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)C5=NOC(=O)N5C
InChI
InChI=1S/C21H18N4O3/c1-23-16-6-4-3-5-15(16)19-17(23)11-12-18(26)25(19)14-9-7-13(8-10-14)20-22-28-21(27)24(20)2/h3-12,17,19H,1-2H3
InChIKey
SWEJKHYEOMXVPM-UHFFFAOYSA-N
Compound name
4-methyl-3-[4-(5-methyl-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-1-yl)phenyl]-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

374.13788 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14516 190.9
[M+Na]+ 397.12710 202.5
[M-H]- 373.13060 199.4
[M+NH4]+ 392.17170 201.8
[M+K]+ 413.10104 196.7
[M+H-H2O]+ 357.13514 180.6
[M+HCOO]- 419.13608 206.5
[M+CH3COO]- 433.15173 201.3
[M+Na-2H]- 395.11255 189.5
[M]+ 374.13733 194.0
[M]- 374.13843 194.0
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

patents stripe