CID 3061301

Brn 4503840

Structural Information

Molecular Formula
C13H17N3O3
SMILES
CC(C)(C)OC(=O)NNC1=NC2=CC=CC=C2OC1
InChI
InChI=1S/C13H17N3O3/c1-13(2,3)19-12(17)16-15-11-8-18-10-7-5-4-6-9(10)14-11/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17)
InChIKey
FWGZVRLHJJSARU-UHFFFAOYSA-N
Compound name
tert-butyl N-(2H-1,4-benzoxazin-3-ylamino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.12698 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13426 160.3
[M+Na]+ 286.11620 166.3
[M-H]- 262.11970 164.0
[M+NH4]+ 281.16080 175.0
[M+K]+ 302.09014 165.7
[M+H-H2O]+ 246.12424 152.7
[M+HCOO]- 308.12518 180.1
[M+CH3COO]- 322.14083 198.3
[M+Na-2H]- 284.10165 169.3
[M]+ 263.12643 161.2
[M]- 263.12753 161.2
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.