CID 135524679

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

Structural Information

Molecular Formula
C20H16N4O3
SMILES
CN1C2C=CC(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)C5=NOC(=O)N5
InChI
InChI=1S/C20H16N4O3/c1-23-15-5-3-2-4-14(15)18-16(23)10-11-17(25)24(18)13-8-6-12(7-9-13)19-21-20(26)27-22-19/h2-11,16,18H,1H3,(H,21,22,26)
InChIKey
QFXQCLFYEUXLMQ-UHFFFAOYSA-N
Compound name
3-[4-(5-methyl-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-1-yl)phenyl]-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.12225 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12953 185.2
[M+Na]+ 383.11147 196.0
[M-H]- 359.11497 192.4
[M+NH4]+ 378.15607 195.8
[M+K]+ 399.08541 189.8
[M+H-H2O]+ 343.11951 175.3
[M+HCOO]- 405.12045 199.9
[M+CH3COO]- 419.13610 195.2
[M+Na-2H]- 381.09692 184.9
[M]+ 360.12170 186.0
[M]- 360.12280 186.0
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.