CID 667496

Vasicine

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

C1CN2CC3=CC=CC=C3N=C2[C@H]1O

InChI

InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2/t10-/m0/s1

InChIKey

YIICVSCAKJMMDJ-JTQLQIEISA-N

Compound name

(3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 60
References: 549
Patents: 188.09496 Da
Monoisotopic Mass: 0.4
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]+	189.10224	139.4
[M+Na]+	211.08418	148.1
[M-H]-	187.08768	140.7
[M+NH4]+	206.12878	159.7
[M+K]+	227.05812	144.0
[M+H-H2O]+	171.09222	132.3
[M+HCOO]-	233.09316	157.0
[M+CH3COO]-	247.10881	151.8
[M+Na-2H]-	209.06963	146.0
[M]+	188.09441	136.8
[M]-	188.09551	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe