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

58
References

348
Patents

188.09496 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 139.4
[M+Na]+ 211.084178 148.1
[M-H]- 187.087684 140.7
[M+NH4]+ 206.128783 159.7
[M+K]+ 227.058118 144.0
[M+H-H2O]+ 171.092220 132.3
[M+HCOO]- 233.093161 157.0
[M+CH3COO]- 247.108811 151.8
[M+Na-2H]- 209.069626 146.0
[M]+ 188.09441142 136.8
[M]- 188.09550858 136.8
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