CID 5274546

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

Structural Information

Molecular Formula
C27H22N4O2
SMILES
CN1C2C=CC(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)C5=NOC(=N5)CC6=CC=CC=C6
InChI
InChI=1S/C27H22N4O2/c1-30-22-10-6-5-9-21(22)26-23(30)15-16-25(32)31(26)20-13-11-19(12-14-20)27-28-24(33-29-27)17-18-7-3-2-4-8-18/h2-16,23,26H,17H2,1H3
InChIKey
BBNNZKPSBXFCQU-UHFFFAOYSA-N
Compound name
1-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-5-methyl-4a,9b-dihydropyrido[3,2-b]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.1743 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.18158 207.1
[M+Na]+ 457.16352 216.1
[M-H]- 433.16702 217.7
[M+NH4]+ 452.20812 214.5
[M+K]+ 473.13746 208.7
[M+H-H2O]+ 417.17156 194.5
[M+HCOO]- 479.17250 221.4
[M+CH3COO]- 493.18815 215.5
[M+Na-2H]- 455.14897 204.9
[M]+ 434.17375 208.1
[M]- 434.17485 208.1
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.