CID 442894

Deoxypeganine

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

C1CC2=NC3=CC=CC=C3CN2C1

InChI

InChI=1S/C11H12N2/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10/h1-2,4-5H,3,6-8H2

InChIKey

WUFQLZTXIWKION-UHFFFAOYSA-N

Compound name

1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 20
References: 1054
Patents: 172.10005 Da
Monoisotopic Mass: 1.0
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]+	173.10733	136.6
[M+Na]+	195.08927	150.3
[M+NH4]+	190.13387	147.1
[M+K]+	211.06321	144.0
[M-H]-	171.09277	139.3
[M+Na-2H]-	193.07472	142.9
[M]+	172.09950	139.3
[M]-	172.10060	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe