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]+ 249.15976 159.3
[M+Na]+ 271.14170 163.4
[M-H]- 247.14520 160.6
[M+NH4]+ 266.18630 173.7
[M+K]+ 287.11564 161.2
[M+H-H2O]+ 231.14974 151.7
[M+HCOO]- 293.15068 175.1
[M+CH3COO]- 307.16633 195.1
[M+Na-2H]- 269.12715 163.7
[M]+ 248.15193 156.6
[M]- 248.15303 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.