CID 5274572

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

Structural Information

Molecular Formula
C26H19N5O4
SMILES
CN1C2C=CC(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)C5=NOC(=N5)C6=CC(=CC=C6)[N+](=O)[O-]
InChI
InChI=1S/C26H19N5O4/c1-29-21-8-3-2-7-20(21)24-22(29)13-14-23(32)30(24)18-11-9-16(10-12-18)25-27-26(35-28-25)17-5-4-6-19(15-17)31(33)34/h2-15,22,24H,1H3
InChIKey
RDGSCZLLEFKOLC-UHFFFAOYSA-N
Compound name
5-methyl-1-[4-[5-(3-nitrophenyl)-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

465.1437 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.15098 210.7
[M+Na]+ 488.13292 217.1
[M-H]- 464.13642 221.8
[M+NH4]+ 483.17752 215.4
[M+K]+ 504.10686 207.0
[M+H-H2O]+ 448.14096 202.3
[M+HCOO]- 510.14190 225.6
[M+CH3COO]- 524.15755 230.4
[M+Na-2H]- 486.11837 212.0
[M]+ 465.14315 209.8
[M]- 465.14425 209.8
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.