CID 5274581

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

Structural Information

Molecular Formula
C20H16N4O2S
SMILES
CN1C2C=CC(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)C5=NC(=S)ON5
InChI
InChI=1S/C20H16N4O2S/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(27)26-22-19/h2-11,16,18H,1H3,(H,21,22,27)
InChIKey
OCSPHMWHVIHYLO-UHFFFAOYSA-N
Compound name
5-methyl-1-[4-(5-sulfanylidene-2H-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

0
Patents

376.0994 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10668 188.9
[M+Na]+ 399.08862 201.2
[M-H]- 375.09212 196.4
[M+NH4]+ 394.13322 200.3
[M+K]+ 415.06256 194.2
[M+H-H2O]+ 359.09666 181.1
[M+HCOO]- 421.09760 199.6
[M+CH3COO]- 435.11325 199.0
[M+Na-2H]- 397.07407 186.5
[M]+ 376.09885 191.4
[M]- 376.09995 191.4
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.