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

24
Patents

263.12698 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13426 160.4
[M+Na]+ 286.11620 168.9
[M-H]- 262.11970 164.7
[M+NH4]+ 281.16080 177.0
[M+K]+ 302.09014 167.8
[M+H-H2O]+ 246.12424 153.7
[M+HCOO]- 308.12518 183.2
[M+CH3COO]- 322.14083 199.5
[M+Na-2H]- 284.10165 167.1
[M]+ 263.12643 164.4
[M]- 263.12753 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