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 157.7
[M+Na]+ 287.13662 162.5
[M-H]- 263.14012 162.1
[M+NH4]+ 282.18122 171.7
[M+K]+ 303.11056 166.5
[M+H-H2O]+ 247.14466 151.3
[M+HCOO]- 309.14560 173.8
[M+CH3COO]- 323.16125 199.2
[M+Na-2H]- 285.12207 162.9
[M]+ 264.14685 154.8
[M]- 264.14795 154.8
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.