CID 5274567

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

Structural Information

Molecular Formula
C24H18N4O3
SMILES
CN1C2C=CC(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)C5=NOC(=N5)C6=CC=CO6
InChI
InChI=1S/C24H18N4O3/c1-27-18-6-3-2-5-17(18)22-19(27)12-13-21(29)28(22)16-10-8-15(9-11-16)23-25-24(31-26-23)20-7-4-14-30-20/h2-14,19,22H,1H3
InChIKey
VYNPZLNKLHOBTB-UHFFFAOYSA-N
Compound name
1-[4-[5-(furan-2-yl)-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

410.13788 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.14516 194.5
[M+Na]+ 433.12710 205.8
[M-H]- 409.13060 207.5
[M+NH4]+ 428.17170 204.0
[M+K]+ 449.10104 201.3
[M+H-H2O]+ 393.13514 185.2
[M+HCOO]- 455.13608 211.7
[M+CH3COO]- 469.15173 205.3
[M+Na-2H]- 431.11255 191.9
[M]+ 410.13733 199.4
[M]- 410.13843 199.4
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.