CID 5274568

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

Structural Information

Molecular Formula
C21H18N4O2
SMILES
CC1=NC(=NO1)C2=CC=C(C=C2)N3C4C(C=CC3=O)N(C5=CC=CC=C45)C
InChI
InChI=1S/C21H18N4O2/c1-13-22-21(23-27-13)14-7-9-15(10-8-14)25-19(26)12-11-18-20(25)16-5-3-4-6-17(16)24(18)2/h3-12,18,20H,1-2H3
InChIKey
RSZINSPOYZPDMZ-UHFFFAOYSA-N
Compound name
5-methyl-1-[4-(5-methyl-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

358.14297 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15025 187.5
[M+Na]+ 381.13219 198.3
[M-H]- 357.13569 195.7
[M+NH4]+ 376.17679 199.0
[M+K]+ 397.10613 192.4
[M+H-H2O]+ 341.14023 177.0
[M+HCOO]- 403.14117 203.0
[M+CH3COO]- 417.15682 197.8
[M+Na-2H]- 379.11764 186.8
[M]+ 358.14242 189.6
[M]- 358.14352 189.6
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.