CID 343412

Nsc382837

Structural Information

Molecular Formula
C16H14N2O3
SMILES
CN1C2C=CC(=O)C1C3C2C(=O)N(C3=O)C4=CC=CC=C4
InChI
InChI=1S/C16H14N2O3/c1-17-10-7-8-11(19)14(17)13-12(10)15(20)18(16(13)21)9-5-3-2-4-6-9/h2-8,10,12-14H,1H3
InChIKey
RWCGNTKHOIIGNF-UHFFFAOYSA-N
Compound name
11-methyl-4-phenyl-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

13
Patents

282.10043 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 164.0
[M+Na]+ 305.08965 174.3
[M-H]- 281.09315 169.3
[M+NH4]+ 300.13425 183.8
[M+K]+ 321.06359 169.4
[M+H-H2O]+ 265.09769 157.4
[M+HCOO]- 327.09863 181.2
[M+CH3COO]- 341.11428 176.1
[M+Na-2H]- 303.07510 164.0
[M]+ 282.09988 164.7
[M]- 282.10098 164.7
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.