CID 165991559

2768326-82-3

Structural Information

Molecular Formula
C18H19N3O3
SMILES
COC1=CC=CC(=C1)N2C3=CC4=C(C=C3N=C2CCN)OCCO4
InChI
InChI=1S/C18H19N3O3/c1-22-13-4-2-3-12(9-13)21-15-11-17-16(23-7-8-24-17)10-14(15)20-18(21)5-6-19/h2-4,9-11H,5-8,19H2,1H3
InChIKey
DOHMKMBIFJCJRV-UHFFFAOYSA-N
Compound name
2-[3-(3-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

325.14264 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14992 175.9
[M+Na]+ 348.13186 185.2
[M-H]- 324.13536 183.0
[M+NH4]+ 343.17646 188.0
[M+K]+ 364.10580 182.3
[M+H-H2O]+ 308.13990 166.5
[M+HCOO]- 370.14084 194.0
[M+CH3COO]- 384.15649 187.0
[M+Na-2H]- 346.11731 181.3
[M]+ 325.14209 179.5
[M]- 325.14319 179.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.