CID 9943465

504433-24-3

Structural Information

Molecular Formula
C17H13N3O
SMILES
CN1C=C(C2=CC=CC=C21)/C=C\3/C4=C(C=CC=N4)NC3=O
InChI
InChI=1S/C17H13N3O/c1-20-10-11(12-5-2-3-7-15(12)20)9-13-16-14(19-17(13)21)6-4-8-18-16/h2-10H,1H3,(H,19,21)/b13-9-
InChIKey
NXNQLECPAXXYTR-LCYFTJDESA-N
Compound name
(3Z)-3-[(1-methylindol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

302
Patents

275.10587 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11315 164.2
[M+Na]+ 298.09509 175.9
[M-H]- 274.09859 168.9
[M+NH4]+ 293.13969 181.6
[M+K]+ 314.06903 168.4
[M+H-H2O]+ 258.10313 155.9
[M+HCOO]- 320.10407 183.8
[M+CH3COO]- 334.11972 176.2
[M+Na-2H]- 296.08054 166.9
[M]+ 275.10532 164.8
[M]- 275.10642 164.8
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.