CID 5274552

3-bromo-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
C21H17BrN4O2
SMILES
CC1=NC(=NO1)C2=CC=C(C=C2)N3C4C(C=C(C3=O)Br)N(C5=CC=CC=C45)C
InChI
InChI=1S/C21H17BrN4O2/c1-12-23-20(24-28-12)13-7-9-14(10-8-13)26-19-15-5-3-4-6-17(15)25(2)18(19)11-16(22)21(26)27/h3-11,18-19H,1-2H3
InChIKey
XGDAZMWFAIQYSU-UHFFFAOYSA-N
Compound name
3-bromo-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

436.0535 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.06078 199.5
[M+Na]+ 459.04272 213.1
[M-H]- 435.04622 210.2
[M+NH4]+ 454.08732 212.3
[M+K]+ 475.01666 201.5
[M+H-H2O]+ 419.05076 197.0
[M+HCOO]- 481.05170 213.2
[M+CH3COO]- 495.06735 211.2
[M+Na-2H]- 457.02817 199.1
[M]+ 436.05295 220.3
[M]- 436.05405 220.3
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.