CID 31096

3,4-dihydro-n-phenethyl-2h-1,4-benzoxazine-2-carboxamide hydrochloride

Structural Information

Molecular Formula
C17H18N2O2
SMILES
C1C(OC2=CC=CC=C2N1)C(=O)NCCC3=CC=CC=C3
InChI
InChI=1S/C17H18N2O2/c20-17(18-11-10-13-6-2-1-3-7-13)16-12-19-14-8-4-5-9-15(14)21-16/h1-9,16,19H,10-12H2,(H,18,20)
InChIKey
KKFVAGWHRRXCQU-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.13684 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14412 164.9
[M+Na]+ 305.12606 169.2
[M-H]- 281.12956 169.3
[M+NH4]+ 300.17066 177.3
[M+K]+ 321.10000 165.2
[M+H-H2O]+ 265.13410 155.8
[M+HCOO]- 327.13504 182.0
[M+CH3COO]- 341.15069 174.5
[M+Na-2H]- 303.11151 171.4
[M]+ 282.13629 161.2
[M]- 282.13739 161.2
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.