CID 125461713

Tert-butyl n-(2,3,4,5-tetrahydro-1,4-benzoxazepin-8-yl)carbamate

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CC(C)(C)OC(=O)NC1=CC2=C(CNCCO2)C=C1
InChI
InChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-11-5-4-10-9-15-6-7-18-12(10)8-11/h4-5,8,15H,6-7,9H2,1-3H3,(H,16,17)
InChIKey
NAYHRIFSHVNAOZ-UHFFFAOYSA-N
Compound name
tert-butyl N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-8-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 158.0
[M+Na]+ 287.136618 161.6
[M-H]- 263.140124 161.2
[M+NH4]+ 282.181223 171.2
[M+K]+ 303.110558 164.9
[M+H-H2O]+ 247.144660 151.6
[M+HCOO]- 309.145601 173.3
[M+CH3COO]- 323.161251 196.3
[M+Na-2H]- 285.122066 164.4
[M]+ 264.14685142 153.9
[M]- 264.14794858 153.9
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.