CID 5274550

2-[3-[4-(5-methyl-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-1-yl)phenyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetonitrile

Structural Information

Molecular Formula
C22H17N5O3
SMILES
CN1C2C=CC(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)C5=NOC(=O)N5CC#N
InChI
InChI=1S/C22H17N5O3/c1-25-17-5-3-2-4-16(17)20-18(25)10-11-19(28)27(20)15-8-6-14(7-9-15)21-24-30-22(29)26(21)13-12-23/h2-11,18,20H,13H2,1H3
InChIKey
NTUGGOODGZZJRL-UHFFFAOYSA-N
Compound name
2-[3-[4-(5-methyl-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-1-yl)phenyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.13315 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.14043 193.5
[M+Na]+ 422.12237 206.1
[M-H]- 398.12587 197.9
[M+NH4]+ 417.16697 201.3
[M+K]+ 438.09631 196.6
[M+H-H2O]+ 382.13041 175.7
[M+HCOO]- 444.13135 205.1
[M+CH3COO]- 458.14700 201.1
[M+Na-2H]- 420.10782 191.4
[M]+ 399.13260 190.6
[M]- 399.13370 190.6
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.