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: 998
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]+	173.107326	135.6
[M+Na]+	195.089268	143.9
[M-H]-	171.092774	137.9
[M+NH4]+	190.133873	157.0
[M+K]+	211.063208	140.2
[M+H-H2O]+	155.097310	128.0
[M+HCOO]-	217.098251	154.6
[M+CH3COO]-	231.113901	148.5
[M+Na-2H]-	193.074716	143.3
[M]+	172.09950142	133.0
[M]-	172.10059858	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe