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]+ 265.15468 158.0
[M+Na]+ 287.13662 161.6
[M-H]- 263.14012 161.2
[M+NH4]+ 282.18122 171.2
[M+K]+ 303.11056 164.9
[M+H-H2O]+ 247.14466 151.6
[M+HCOO]- 309.14560 173.3
[M+CH3COO]- 323.16125 196.3
[M+Na-2H]- 285.12207 164.4
[M]+ 264.14685 153.9
[M]- 264.14795 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.