CID 5274573

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

Structural Information

Molecular Formula
C23H22N4O2
SMILES
CCCC1=NC(=NO1)C2=CC=C(C=C2)N3C4C(C=CC3=O)N(C5=CC=CC=C45)C
InChI
InChI=1S/C23H22N4O2/c1-3-6-20-24-23(25-29-20)15-9-11-16(12-10-15)27-21(28)14-13-19-22(27)17-7-4-5-8-18(17)26(19)2/h4-5,7-14,19,22H,3,6H2,1-2H3
InChIKey
FTEZMZLUZWNTMC-UHFFFAOYSA-N
Compound name
5-methyl-1-[4-(5-propyl-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

386.1743 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18158 196.4
[M+Na]+ 409.16352 206.2
[M-H]- 385.16702 204.1
[M+NH4]+ 404.20812 206.7
[M+K]+ 425.13746 199.9
[M+H-H2O]+ 369.17156 185.4
[M+HCOO]- 431.17250 211.1
[M+CH3COO]- 445.18815 205.8
[M+Na-2H]- 407.14897 194.5
[M]+ 386.17375 199.0
[M]- 386.17485 199.0
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.