CID 608061

4514-04-9

Structural Information

Molecular Formula
C13H13NO
SMILES
C1CCC2=C(C1)C3=CC=CC=C3NC2=O
InChI
InChI=1S/C13H13NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h3-4,6,8H,1-2,5,7H2,(H,14,15)
InChIKey
OTXJKBUDMLOVIB-UHFFFAOYSA-N
Compound name
7,8,9,10-tetrahydro-5H-phenanthridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

199.09972 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10700 140.6
[M+Na]+ 222.08894 148.8
[M-H]- 198.09244 143.0
[M+NH4]+ 217.13354 159.9
[M+K]+ 238.06288 143.5
[M+H-H2O]+ 182.09698 133.6
[M+HCOO]- 244.09792 158.2
[M+CH3COO]- 258.11357 152.7
[M+Na-2H]- 220.07439 149.2
[M]+ 199.09917 136.6
[M]- 199.10027 136.6
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