CID 3044194

Brn 0570259

Structural Information

Molecular Formula
C18H16N2O3
SMILES
C1CN2C(=N1)C3=CC=CC=C3CC2(C4=CC5=C(C=C4)OCO5)O
InChI
InChI=1S/C18H16N2O3/c21-18(13-5-6-15-16(9-13)23-11-22-15)10-12-3-1-2-4-14(12)17-19-7-8-20(17)18/h1-6,9,21H,7-8,10-11H2
InChIKey
VTMGLOBDVHRQIR-UHFFFAOYSA-N
Compound name
5-(1,3-benzodioxol-5-yl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

308.1161 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 167.1
[M+Na]+ 331.10532 176.4
[M-H]- 307.10882 174.2
[M+NH4]+ 326.14992 184.1
[M+K]+ 347.07926 173.1
[M+H-H2O]+ 291.11336 159.3
[M+HCOO]- 353.11430 181.2
[M+CH3COO]- 367.12995 178.4
[M+Na-2H]- 329.09077 171.7
[M]+ 308.11555 167.4
[M]- 308.11665 167.4
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