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]+ 274.12264 161.9
[M+Na]+ 296.10458 172.6
[M-H]- 272.10808 167.2
[M+NH4]+ 291.14918 179.9
[M+K]+ 312.07852 166.2
[M+H-H2O]+ 256.11262 152.7
[M+HCOO]- 318.11356 182.4
[M+CH3COO]- 332.12921 174.3
[M+Na-2H]- 294.09003 172.6
[M]+ 273.11481 165.5
[M]- 273.11591 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.