CID 137951413

2219380-10-4

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CC(C)(C)OC(=O)NCC1=CC2=C(C=C1)NCCO2
InChI
InChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-9-10-4-5-11-12(8-10)18-7-6-15-11/h4-5,8,15H,6-7,9H2,1-3H3,(H,16,17)
InChIKey
BFZIQJAITITEKS-UHFFFAOYSA-N
Compound name
tert-butyl N-(3,4-dihydro-2H-1,4-benzoxazin-7-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 162.2
[M+Na]+ 287.136618 167.0
[M-H]- 263.140124 163.9
[M+NH4]+ 282.181223 176.2
[M+K]+ 303.110558 165.5
[M+H-H2O]+ 247.144660 155.1
[M+HCOO]- 309.145601 177.7
[M+CH3COO]- 323.161251 195.4
[M+Na-2H]- 285.122066 168.8
[M]+ 264.14685142 161.0
[M]- 264.14794858 161.0
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.