CID 124703600

1205748-90-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

264.1474 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 157.7
[M+Na]+ 287.136618 162.5
[M-H]- 263.140124 162.1
[M+NH4]+ 282.181223 171.7
[M+K]+ 303.110558 166.5
[M+H-H2O]+ 247.144660 151.3
[M+HCOO]- 309.145601 173.8
[M+CH3COO]- 323.161251 199.2
[M+Na-2H]- 285.122066 162.9
[M]+ 264.14685142 154.8
[M]- 264.14794858 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

patents stripe