CID 98660

Nsc157962

Structural Information

Molecular Formula
C15H12N4O2
SMILES
CC(=O)N1C2=CC=CC=C2C3(C1=O)NC4=C(N3)N=CC=C4
InChI
InChI=1S/C15H12N4O2/c1-9(20)19-12-7-3-2-5-10(12)15(14(19)21)17-11-6-4-8-16-13(11)18-15/h2-8,17H,1H3,(H,16,18)
InChIKey
AAEVJRMKYAYUMB-UHFFFAOYSA-N
Compound name
1'-acetylspiro[1,3-dihydroimidazo[4,5-b]pyridine-2,3'-indole]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.09604 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.10332 165.6
[M+Na]+ 303.08526 176.0
[M-H]- 279.08876 166.5
[M+NH4]+ 298.12986 182.7
[M+K]+ 319.05920 169.5
[M+H-H2O]+ 263.09330 157.3
[M+HCOO]- 325.09424 179.4
[M+CH3COO]- 339.10989 175.9
[M+Na-2H]- 301.07071 168.2
[M]+ 280.09549 163.0
[M]- 280.09659 163.0
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.