CID 5274531

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

Structural Information

Molecular Formula
C24H20N4O2
SMILES
CC1=C(C(=NO1)C)C2=CC=C(C=C2)N3C4C(C=C(C3=O)C#N)N(C5=CC=CC=C45)C
InChI
InChI=1S/C24H20N4O2/c1-14-22(15(2)30-26-14)16-8-10-18(11-9-16)28-23-19-6-4-5-7-20(19)27(3)21(23)12-17(13-25)24(28)29/h4-12,21,23H,1-3H3
InChIKey
KUICKJXZAMHPBC-UHFFFAOYSA-N
Compound name
1-[4-(3,5-dimethyl-1,2-oxazol-4-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

396.15863 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16591 197.6
[M+Na]+ 419.14785 210.8
[M-H]- 395.15135 203.6
[M+NH4]+ 414.19245 207.4
[M+K]+ 435.12179 200.6
[M+H-H2O]+ 379.15589 180.9
[M+HCOO]- 441.15683 209.7
[M+CH3COO]- 455.17248 205.7
[M+Na-2H]- 417.13330 194.1
[M]+ 396.15808 194.8
[M]- 396.15918 194.8
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.