CID 386348

Nsc678131

Structural Information

Molecular Formula
C18H11NO2
SMILES
C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=CC=CC=C4NC3=O
InChI
InChI=1S/C18H11NO2/c20-17-13-7-3-4-8-16(13)19-18(21)15-10-12-6-2-1-5-11(12)9-14(15)17/h1-10H,(H,19,21)
InChIKey
VYDOFBFPAMJVGT-UHFFFAOYSA-N
Compound name
5H-naphtho[2,3-c][1]benzazepine-6,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.07898 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08626 159.9
[M+Na]+ 296.06820 172.4
[M-H]- 272.07170 166.8
[M+NH4]+ 291.11280 177.1
[M+K]+ 312.04214 169.6
[M+H-H2O]+ 256.07624 154.7
[M+HCOO]- 318.07718 181.1
[M+CH3COO]- 332.09283 172.9
[M+Na-2H]- 294.05365 170.6
[M]+ 273.07843 160.8
[M]- 273.07953 160.8
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.