CID 99026

40114-91-8

Structural Information

Molecular Formula
C13H10N4O
SMILES
C1=CC=C2C(=C1)C3(C(=O)N2)NC4=C(N3)N=CC=C4
InChI
InChI=1S/C13H10N4O/c18-12-13(8-4-1-2-5-9(8)15-12)16-10-6-3-7-14-11(10)17-13/h1-7,16H,(H,14,17)(H,15,18)
InChIKey
OJMIIRAEOGSZHM-UHFFFAOYSA-N
Compound name
spiro[1,3-dihydroimidazo[4,5-b]pyridine-2,3'-1H-indole]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.08546 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09274 153.7
[M+Na]+ 261.07468 164.0
[M-H]- 237.07818 153.1
[M+NH4]+ 256.11928 171.7
[M+K]+ 277.04862 156.5
[M+H-H2O]+ 221.08272 145.4
[M+HCOO]- 283.08366 167.5
[M+CH3COO]- 297.09931 164.1
[M+Na-2H]- 259.06013 158.6
[M]+ 238.08491 148.3
[M]- 238.08601 148.3
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.