CID 3059107

Brn 5594377

Structural Information

Molecular Formula
C18H18N2O2
SMILES
COC1(C2=NC3=CC=CC=C3N2CCCO1)C4=CC=CC=C4
InChI
InChI=1S/C18H18N2O2/c1-21-18(14-8-3-2-4-9-14)17-19-15-10-5-6-11-16(15)20(17)12-7-13-22-18/h2-6,8-11H,7,12-13H2,1H3
InChIKey
UNAAHSKOUMVMAU-UHFFFAOYSA-N
Compound name
1-methoxy-1-phenyl-4,5-dihydro-3H-[1,4]oxazepino[4,3-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13684 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.144116 167.9
[M+Na]+ 317.126058 176.7
[M-H]- 293.129564 175.9
[M+NH4]+ 312.170663 184.0
[M+K]+ 333.099998 175.5
[M+H-H2O]+ 277.134100 159.3
[M+HCOO]- 339.135041 186.2
[M+CH3COO]- 353.150691 179.4
[M+Na-2H]- 315.111506 174.9
[M]+ 294.13629142 167.5
[M]- 294.13738858 167.5
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.