CID 270585

6-ethoxybenzo[j]phenanthridine

Structural Information

Molecular Formula
C19H15NO
SMILES
CCOC1=NC2=CC=CC=C2C3=CC4=CC=CC=C4C=C31
InChI
InChI=1S/C19H15NO/c1-2-21-19-17-12-14-8-4-3-7-13(14)11-16(17)15-9-5-6-10-18(15)20-19/h3-12H,2H2,1H3
InChIKey
BRHZZHJJYVBMLW-UHFFFAOYSA-N
Compound name
6-ethoxybenzo[j]phenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.11536 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.122636 161.9
[M+Na]+ 296.104578 172.6
[M-H]- 272.108084 167.2
[M+NH4]+ 291.149183 179.9
[M+K]+ 312.078518 166.2
[M+H-H2O]+ 256.112620 152.7
[M+HCOO]- 318.113561 182.4
[M+CH3COO]- 332.129211 174.3
[M+Na-2H]- 294.090026 172.6
[M]+ 273.11481142 165.5
[M]- 273.11590858 165.5
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.