CID 83844500

1205750-08-8

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CC(C)(C)OC(=O)N1CCOC2=C(C1)C=C(C=C2)N
InChI
InChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-6-7-18-12-5-4-11(15)8-10(12)9-16/h4-5,8H,6-7,9,15H2,1-3H3
InChIKey
IIESDUMHEUGJGF-UHFFFAOYSA-N
Compound name
tert-butyl 7-amino-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 162.0
[M+Na]+ 287.13662 170.3
[M+NH4]+ 282.18122 167.8
[M+K]+ 303.11056 167.7
[M-H]- 263.14012 163.6
[M+Na-2H]- 285.12207 164.8
[M]+ 264.14685 163.5
[M]- 264.14795 163.5
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.