CID 124007

Cp 93129

Structural Information

Molecular Formula

C₁₂H₁₃N₃O

SMILES

C1CNCC=C1C2=CNC3=C2NC(=O)C=C3

InChI

InChI=1S/C12H13N3O/c16-11-2-1-10-12(15-11)9(7-14-10)8-3-5-13-6-4-8/h1-3,7,13-14H,4-6H2,(H,15,16)

InChIKey

PJYVGMRFPFNZCT-UHFFFAOYSA-N

Compound name

3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 122
References: 52
Patents: 215.10587 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	216.11315	147.3
[M+Na]+	238.09509	160.7
[M+NH4]+	233.13969	154.8
[M+K]+	254.06903	155.9
[M-H]-	214.09859	148.8
[M+Na-2H]-	236.08054	153.8
[M]+	215.10532	149.4
[M]-	215.10642	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe