CID 24689824

N-(pentan-3-yl)-3,4-dihydro-2h-1,4-benzoxazine-2-carboxamide hydrochloride

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CCC(CC)NC(=O)C1CNC2=CC=CC=C2O1
InChI
InChI=1S/C14H20N2O2/c1-3-10(4-2)16-14(17)13-9-15-11-7-5-6-8-12(11)18-13/h5-8,10,13,15H,3-4,9H2,1-2H3,(H,16,17)
InChIKey
XSLBJRMZHBADGW-UHFFFAOYSA-N
Compound name
N-pentan-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 159.3
[M+Na]+ 271.141698 163.4
[M-H]- 247.145204 160.6
[M+NH4]+ 266.186303 173.7
[M+K]+ 287.115638 161.2
[M+H-H2O]+ 231.149740 151.7
[M+HCOO]- 293.150681 175.1
[M+CH3COO]- 307.166331 195.1
[M+Na-2H]- 269.127146 163.7
[M]+ 248.15193142 156.6
[M]- 248.15302858 156.6
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.