CID 23551931

368426-77-1

Structural Information

Molecular Formula
C13H17N3O3
SMILES
CC(C)(C)OC(=O)NCC1=CC2=C(C=C1)C(=NO2)N
InChI
InChI=1S/C13H17N3O3/c1-13(2,3)18-12(17)15-7-8-4-5-9-10(6-8)19-16-11(9)14/h4-6H,7H2,1-3H3,(H2,14,16)(H,15,17)
InChIKey
SFLDNIPLWFVHEB-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-amino-1,2-benzoxazol-6-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

263.12698 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.134256 160.4
[M+Na]+ 286.116198 168.9
[M-H]- 262.119704 164.7
[M+NH4]+ 281.160803 177.0
[M+K]+ 302.090138 167.8
[M+H-H2O]+ 246.124240 153.7
[M+HCOO]- 308.125181 183.2
[M+CH3COO]- 322.140831 199.5
[M+Na-2H]- 284.101646 167.1
[M]+ 263.12643142 164.4
[M]- 263.12752858 164.4
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