CID 654114

Brn 4763744

Structural Information

Molecular Formula
C18H19N3O3
SMILES
CCOC1=CC=C(C=C1)N2CC(=O)NC3=CC=CC=C3NCC2=O
InChI
InChI=1S/C18H19N3O3/c1-2-24-14-9-7-13(8-10-14)21-12-17(22)20-16-6-4-3-5-15(16)19-11-18(21)23/h3-10,19H,2,11-12H2,1H3,(H,20,22)
InChIKey
OAUAHIZTNCWECU-UHFFFAOYSA-N
Compound name
4-(4-ethoxyphenyl)-1,2,5,7-tetrahydro-1,4,7-benzotriazonine-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

325.14264 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14992 196.1
[M+Na]+ 348.13186 197.9
[M+NH4]+ 343.17646 196.8
[M+K]+ 364.10580 195.5
[M-H]- 324.13536 196.3
[M+Na-2H]- 346.11731 195.2
[M]+ 325.14209 196.5
[M]- 325.14319 196.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.