CID 3071989

Brn 4756415

Structural Information

Molecular Formula
C16H15N3O2
SMILES
C1C(=O)N(CC(=O)NC2=CC=CC=C2N1)C3=CC=CC=C3
InChI
InChI=1S/C16H15N3O2/c20-15-11-19(12-6-2-1-3-7-12)16(21)10-17-13-8-4-5-9-14(13)18-15/h1-9,17H,10-11H2,(H,18,20)
InChIKey
QGHUKSNEKFYOOT-UHFFFAOYSA-N
Compound name
4-phenyl-1,2,5,7-tetrahydro-1,4,7-benzotriazonine-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11642 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 191.9
[M+Na]+ 304.10564 193.9
[M+NH4]+ 299.15024 192.8
[M+K]+ 320.07958 191.5
[M-H]- 280.10914 192.2
[M+Na-2H]- 302.09109 191.4
[M]+ 281.11587 192.4
[M]- 281.11697 192.4
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

No patent data available for this compound.