CID 371132

Nsc645092

Structural Information

Molecular Formula
C16H14N2O2
SMILES
C1CN2CCC(=O)NC3=CC4=CC=CC=C4C(=C32)C1=O
InChI
InChI=1S/C16H14N2O2/c19-13-5-7-18-8-6-14(20)17-12-9-10-3-1-2-4-11(10)15(13)16(12)18/h1-4,9H,5-8H2,(H,17,20)
InChIKey
CZXYUWVDRUMHPL-UHFFFAOYSA-N
Compound name
5,9-diazatetracyclo[8.7.1.05,18.012,17]octadeca-1(18),10,12,14,16-pentaene-2,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 159.8
[M+Na]+ 289.09475 167.3
[M-H]- 265.09825 162.6
[M+NH4]+ 284.13935 175.5
[M+K]+ 305.06869 164.9
[M+H-H2O]+ 249.10279 152.7
[M+HCOO]- 311.10373 172.3
[M+CH3COO]- 325.11938 169.8
[M+Na-2H]- 287.08020 166.2
[M]+ 266.10498 154.1
[M]- 266.10608 154.1
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.