CID 165470854

2770359-50-5

Structural Information

Molecular Formula
C20H23N3O4
SMILES
COCCOC1=CC=CC(=C1)N2C3=CC4=C(C=C3N=C2CCN)OCCO4
InChI
InChI=1S/C20H23N3O4/c1-24-7-8-25-15-4-2-3-14(11-15)23-17-13-19-18(26-9-10-27-19)12-16(17)22-20(23)5-6-21/h2-4,11-13H,5-10,21H2,1H3
InChIKey
QHMNTIXDQDQRRG-UHFFFAOYSA-N
Compound name
2-[3-[3-(2-methoxyethoxy)phenyl]-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

0
Patents

369.16885 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.17613 187.3
[M+Na]+ 392.15807 195.4
[M-H]- 368.16157 194.0
[M+NH4]+ 387.20267 197.5
[M+K]+ 408.13201 192.8
[M+H-H2O]+ 352.16611 177.3
[M+HCOO]- 414.16705 204.9
[M+CH3COO]- 428.18270 197.3
[M+Na-2H]- 390.14352 191.9
[M]+ 369.16830 193.0
[M]- 369.16940 193.0
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.