CID 5274526

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

Structural Information

Molecular Formula
C23H17N3O2
SMILES
CN1C2C=C(C(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)C5=CC=CO5)C#N
InChI
InChI=1S/C23H17N3O2/c1-25-19-6-3-2-5-18(19)22-20(25)13-16(14-24)23(27)26(22)17-10-8-15(9-11-17)21-7-4-12-28-21/h2-13,20,22H,1H3
InChIKey
XFHHMVCHRUKXNR-UHFFFAOYSA-N
Compound name
1-[4-(furan-2-yl)phenyl]-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

367.13208 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.13936 190.1
[M+Na]+ 390.12130 202.8
[M-H]- 366.12480 197.1
[M+NH4]+ 385.16590 201.9
[M+K]+ 406.09524 192.3
[M+H-H2O]+ 350.12934 174.1
[M+HCOO]- 412.13028 204.0
[M+CH3COO]- 426.14593 198.9
[M+Na-2H]- 388.10675 188.6
[M]+ 367.13153 186.0
[M]- 367.13263 186.0
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.