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]+ 295.14412 167.9
[M+Na]+ 317.12606 176.7
[M-H]- 293.12956 175.9
[M+NH4]+ 312.17066 184.0
[M+K]+ 333.10000 175.5
[M+H-H2O]+ 277.13410 159.3
[M+HCOO]- 339.13504 186.2
[M+CH3COO]- 353.15069 179.4
[M+Na-2H]- 315.11151 174.9
[M]+ 294.13629 167.5
[M]- 294.13739 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.