CID 5274576

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

Structural Information

Molecular Formula
C21H15F3N4O2
SMILES
CN1C2C=CC(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)C5=NOC(=N5)C(F)(F)F
InChI
InChI=1S/C21H15F3N4O2/c1-27-15-5-3-2-4-14(15)18-16(27)10-11-17(29)28(18)13-8-6-12(7-9-13)19-25-20(30-26-19)21(22,23)24/h2-11,16,18H,1H3
InChIKey
TVVXHVRKOSTURK-UHFFFAOYSA-N
Compound name
5-methyl-1-[4-[5-(trifluoromethyl)-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

412.11472 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.12200 198.3
[M+Na]+ 435.10394 209.6
[M-H]- 411.10744 202.8
[M+NH4]+ 430.14854 207.6
[M+K]+ 451.07788 202.9
[M+H-H2O]+ 395.11198 185.7
[M+HCOO]- 457.11292 208.9
[M+CH3COO]- 471.12857 206.9
[M+Na-2H]- 433.08939 196.9
[M]+ 412.11417 197.0
[M]- 412.11527 197.0
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.