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

306
Patents

275.10587 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.113146 164.2
[M+Na]+ 298.095088 175.9
[M-H]- 274.098594 168.9
[M+NH4]+ 293.139693 181.6
[M+K]+ 314.069028 168.4
[M+H-H2O]+ 258.103130 155.9
[M+HCOO]- 320.104071 183.8
[M+CH3COO]- 334.119721 176.2
[M+Na-2H]- 296.080536 166.9
[M]+ 275.10532142 164.8
[M]- 275.10641858 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

literature stripe

Patent stripe

patents stripe