CID 31094

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

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

5
Patents

234.13683 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 154.1
[M+Na]+ 257.126048 158.9
[M-H]- 233.129554 155.5
[M+NH4]+ 252.170653 169.1
[M+K]+ 273.099988 156.4
[M+H-H2O]+ 217.134090 146.6
[M+HCOO]- 279.135031 171.3
[M+CH3COO]- 293.150681 191.1
[M+Na-2H]- 255.111496 160.3
[M]+ 234.13628142 151.7
[M]- 234.13737858 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