CID 34031

27827-61-8

Structural Information

Molecular Formula
C17H17NO2
SMILES
C1C(COC2=CC=CC=C2C(=N1)CC3=CC=CC=C3)O
InChI
InChI=1S/C17H17NO2/c19-14-11-18-16(10-13-6-2-1-3-7-13)15-8-4-5-9-17(15)20-12-14/h1-9,14,19H,10-12H2
InChIKey
KOORYNGOSOVRCA-UHFFFAOYSA-N
Compound name
6-benzyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12592 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 156.8
[M+Na]+ 290.11514 161.7
[M-H]- 266.11864 159.4
[M+NH4]+ 285.15974 163.2
[M+K]+ 306.08908 160.9
[M+H-H2O]+ 250.12318 152.1
[M+HCOO]- 312.12412 164.9
[M+CH3COO]- 326.13977 161.3
[M+Na-2H]- 288.10059 158.2
[M]+ 267.12537 156.3
[M]- 267.12647 156.3
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.