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]+ 267.112806 159.8
[M+Na]+ 289.094748 167.3
[M-H]- 265.098254 162.6
[M+NH4]+ 284.139353 175.5
[M+K]+ 305.068688 164.9
[M+H-H2O]+ 249.102790 152.7
[M+HCOO]- 311.103731 172.3
[M+CH3COO]- 325.119381 169.8
[M+Na-2H]- 287.080196 166.2
[M]+ 266.10498142 154.1
[M]- 266.10607858 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.