CID 29205

18672-13-4

Structural Information

Molecular Formula
C14H13N3O2
SMILES
C1N(C(=O)C2=C(O1)C=CC(=C2)N)C3=CC=C(C=C3)N
InChI
InChI=1S/C14H13N3O2/c15-9-1-4-11(5-2-9)17-8-19-13-6-3-10(16)7-12(13)14(17)18/h1-7H,8,15-16H2
InChIKey
MYCCIRTWWFFNLD-UHFFFAOYSA-N
Compound name
6-amino-3-(4-aminophenyl)-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.10077 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10805 157.6
[M+Na]+ 278.08999 166.1
[M-H]- 254.09349 164.1
[M+NH4]+ 273.13459 172.0
[M+K]+ 294.06393 162.4
[M+H-H2O]+ 238.09803 149.0
[M+HCOO]- 300.09897 178.0
[M+CH3COO]- 314.11462 169.3
[M+Na-2H]- 276.07544 163.5
[M]+ 255.10022 154.3
[M]- 255.10132 154.3
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.