CID 3065902

Brn 6002241

Structural Information

Molecular Formula
C17H15N3O5
SMILES
COC(=O)CC1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)[N+](=O)[O-])OC2
InChI
InChI=1S/C17H15N3O5/c1-24-17(21)8-11-2-4-12(5-3-11)18-16-10-25-15-7-6-13(20(22)23)9-14(15)19-16/h2-7,9H,8,10H2,1H3,(H,18,19)
InChIKey
LCBNLRYAWBUXCY-UHFFFAOYSA-N
Compound name
methyl 2-[4-[(6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.10117 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.10845 175.3
[M+Na]+ 364.09039 189.3
[M+NH4]+ 359.13499 181.8
[M+K]+ 380.06433 185.9
[M-H]- 340.09389 181.7
[M+Na-2H]- 362.07584 181.8
[M]+ 341.10062 178.9
[M]- 341.10172 178.9
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.