CID 135524678

2h-pyrido[3,2-b]indol-2-one, 3-(4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)-1,4a,5,9b-tetrahydro-5-methyl-1-(4-nitrophenyl)-

Structural Information

Molecular Formula
C20H15N5O5
SMILES
CN1C2C=C(C(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)[N+](=O)[O-])C5=NOC(=O)N5
InChI
InChI=1S/C20H15N5O5/c1-23-15-5-3-2-4-13(15)17-16(23)10-14(18-21-20(27)30-22-18)19(26)24(17)11-6-8-12(9-7-11)25(28)29/h2-10,16-17H,1H3,(H,21,22,27)
InChIKey
CKZKIEORTYWAOW-UHFFFAOYSA-N
Compound name
3-[5-methyl-1-(4-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-3-yl]-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.10733 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.11461 192.8
[M+Na]+ 428.09655 200.9
[M-H]- 404.10005 200.4
[M+NH4]+ 423.14115 200.2
[M+K]+ 444.07049 191.6
[M+H-H2O]+ 388.10459 187.1
[M+HCOO]- 450.10553 208.0
[M+CH3COO]- 464.12118 216.0
[M+Na-2H]- 426.08200 195.7
[M]+ 405.10678 192.0
[M]- 405.10788 192.0
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

No patent data available for this compound.