CID 137951413

2219380-10-4

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CC(C)(C)OC(=O)NCC1=CC2=C(C=C1)NCCO2
InChI
InChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-9-10-4-5-11-12(8-10)18-7-6-15-11/h4-5,8,15H,6-7,9H2,1-3H3,(H,16,17)
InChIKey
BFZIQJAITITEKS-UHFFFAOYSA-N
Compound name
tert-butyl N-(3,4-dihydro-2H-1,4-benzoxazin-7-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 162.2
[M+Na]+ 287.13662 167.0
[M-H]- 263.14012 163.9
[M+NH4]+ 282.18122 176.2
[M+K]+ 303.11056 165.5
[M+H-H2O]+ 247.14466 155.1
[M+HCOO]- 309.14560 177.7
[M+CH3COO]- 323.16125 195.4
[M+Na-2H]- 285.12207 168.8
[M]+ 264.14685 161.0
[M]- 264.14795 161.0
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.