CID 5274555

Schembl13674832

Structural Information

Molecular Formula
C26H23N3O4
SMILES
COC1=CC=C(C=C1)NC(=O)C2=CC3C(C4=CC=CC=C4N3)N(C2=O)C5=CC=C(C=C5)OC
InChI
InChI=1S/C26H23N3O4/c1-32-18-11-7-16(8-12-18)27-25(30)21-15-23-24(20-5-3-4-6-22(20)28-23)29(26(21)31)17-9-13-19(33-2)14-10-17/h3-15,23-24,28H,1-2H3,(H,27,30)
InChIKey
SNYHBMXJESBXRJ-UHFFFAOYSA-N
Compound name
N,1-bis(4-methoxyphenyl)-2-oxo-5,9b-dihydro-4aH-pyrido[3,2-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

441.16885 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.17613 205.5
[M+Na]+ 464.15807 211.8
[M-H]- 440.16157 213.1
[M+NH4]+ 459.20267 214.1
[M+K]+ 480.13201 205.3
[M+H-H2O]+ 424.16611 194.4
[M+HCOO]- 486.16705 220.8
[M+CH3COO]- 500.18270 213.2
[M+Na-2H]- 462.14352 205.8
[M]+ 441.16830 205.7
[M]- 441.16940 205.7
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.