CID 44422459

Hly78

Structural Information

Molecular Formula
C17H17NO2
SMILES
CCC1=C2C(=CC=C1)C3=CC4=C(C=C3CN2C)OCO4
InChI
InChI=1S/C17H17NO2/c1-3-11-5-4-6-13-14-8-16-15(19-10-20-16)7-12(14)9-18(2)17(11)13/h4-8H,3,9-10H2,1-2H3
InChIKey
FAZZYPIBZBGQSH-UHFFFAOYSA-N
Compound name
4-ethyl-5-methyl-6H-[1,3]dioxolo[4,5-j]phenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

101
Patents

267.12592 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 160.5
[M+Na]+ 290.11514 170.4
[M-H]- 266.11864 166.9
[M+NH4]+ 285.15974 178.4
[M+K]+ 306.08908 167.6
[M+H-H2O]+ 250.12318 153.4
[M+HCOO]- 312.12412 176.8
[M+CH3COO]- 326.13977 173.0
[M+Na-2H]- 288.10059 166.6
[M]+ 267.12537 163.3
[M]- 267.12647 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe