CID 5274532

1-(4-methoxyphenyl)-5-methyl-2-oxo-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile

Structural Information

Molecular Formula
C20H17N3O2
SMILES
CN1C2C=C(C(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)OC)C#N
InChI
InChI=1S/C20H17N3O2/c1-22-17-6-4-3-5-16(17)19-18(22)11-13(12-21)20(24)23(19)14-7-9-15(25-2)10-8-14/h3-11,18-19H,1-2H3
InChIKey
WXKLNUJEJBLABO-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-5-methyl-2-oxo-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.13208 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13936 180.4
[M+Na]+ 354.12130 192.7
[M-H]- 330.12480 184.5
[M+NH4]+ 349.16590 193.8
[M+K]+ 370.09524 183.1
[M+H-H2O]+ 314.12934 164.8
[M+HCOO]- 376.13028 194.4
[M+CH3COO]- 390.14593 189.5
[M+Na-2H]- 352.10675 181.3
[M]+ 331.13153 176.5
[M]- 331.13263 176.5
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.