CID 219966

5,6-dihydrophenanthridine hydrochloride

Structural Information

Molecular Formula
C13H11N
SMILES
C1C2=CC=CC=C2C3=CC=CC=C3N1
InChI
InChI=1S/C13H11N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-8,14H,9H2
InChIKey
YQQRKUQVFWYEPV-UHFFFAOYSA-N
Compound name
5,6-dihydrophenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

740
Patents

181.08914 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09642 136.2
[M+Na]+ 204.07836 144.3
[M-H]- 180.08186 138.7
[M+NH4]+ 199.12296 156.1
[M+K]+ 220.05230 138.9
[M+H-H2O]+ 164.08640 129.2
[M+HCOO]- 226.08734 155.0
[M+CH3COO]- 240.10299 148.7
[M+Na-2H]- 202.06381 146.7
[M]+ 181.08859 132.6
[M]- 181.08969 132.6
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