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]+ 268.133196 156.8
[M+Na]+ 290.115138 161.7
[M-H]- 266.118644 159.4
[M+NH4]+ 285.159743 163.2
[M+K]+ 306.089078 160.9
[M+H-H2O]+ 250.123180 152.1
[M+HCOO]- 312.124121 164.9
[M+CH3COO]- 326.139771 161.3
[M+Na-2H]- 288.100586 158.2
[M]+ 267.12537142 156.3
[M]- 267.12646858 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.