CID 5274578

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

Structural Information

Molecular Formula
C23H22N4O2
SMILES
CC(C)C1=NC(=NO1)C2=CC=C(C=C2)N3C4C(C=CC3=O)N(C5=CC=CC=C45)C
InChI
InChI=1S/C23H22N4O2/c1-14(2)23-24-22(25-29-23)15-8-10-16(11-9-15)27-20(28)13-12-19-21(27)17-6-4-5-7-18(17)26(19)3/h4-14,19,21H,1-3H3
InChIKey
QEKNWWLIUZWZFC-UHFFFAOYSA-N
Compound name
5-methyl-1-[4-(5-propan-2-yl-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 196.3
[M+Na]+ 409.16352 205.7
[M-H]- 385.16702 204.1
[M+NH4]+ 404.20812 206.5
[M+K]+ 425.13746 200.0
[M+H-H2O]+ 369.17156 185.6
[M+HCOO]- 431.17250 210.0
[M+CH3COO]- 445.18815 205.5
[M+Na-2H]- 407.14897 193.5
[M]+ 386.17375 198.4
[M]- 386.17485 198.4
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.