CID 353637

Nsc602610

Structural Information

Molecular Formula
C16H14N2O2
SMILES
CC1=C(N=C2C(=N1)C(=O)C3=C(C2=O)C4CCC3C=C4)C
InChI
InChI=1S/C16H14N2O2/c1-7-8(2)18-14-13(17-7)15(19)11-9-3-5-10(6-4-9)12(11)16(14)20/h3,5,9-10H,4,6H2,1-2H3
InChIKey
QGLROAKDEITONM-UHFFFAOYSA-N
Compound name
6,7-dimethyl-5,8-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),4,6,8,13-pentaene-3,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 159.3
[M+Na]+ 289.09475 167.5
[M-H]- 265.09825 157.8
[M+NH4]+ 284.13935 178.9
[M+K]+ 305.06869 162.6
[M+H-H2O]+ 249.10279 150.5
[M+HCOO]- 311.10373 168.4
[M+CH3COO]- 325.11938 169.2
[M+Na-2H]- 287.08020 168.6
[M]+ 266.10498 162.7
[M]- 266.10608 162.7
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.