CID 31094

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

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CCCCNC(=O)C1CNC2=CC=CC=C2O1
InChI
InChI=1S/C13H18N2O2/c1-2-3-8-14-13(16)12-9-15-10-6-4-5-7-11(10)17-12/h4-7,12,15H,2-3,8-9H2,1H3,(H,14,16)
InChIKey
AFWQCHIGPVMQLR-UHFFFAOYSA-N
Compound name
N-butyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

234.13683 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 154.1
[M+Na]+ 257.12605 158.9
[M-H]- 233.12955 155.5
[M+NH4]+ 252.17065 169.1
[M+K]+ 273.09999 156.4
[M+H-H2O]+ 217.13409 146.6
[M+HCOO]- 279.13503 171.3
[M+CH3COO]- 293.15068 191.1
[M+Na-2H]- 255.11150 160.3
[M]+ 234.13628 151.7
[M]- 234.13738 151.7
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

patents stripe