CID 160547

6-aminophenanthridine

Structural Information

Molecular Formula
C13H10N2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N=C2N
InChI
InChI=1S/C13H10N2/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H,(H2,14,15)
InChIKey
FVCXJXKLDUJOFA-UHFFFAOYSA-N
Compound name
phenanthridin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

214
Patents

194.0844 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09168 138.4
[M+Na]+ 217.07362 149.2
[M-H]- 193.07712 142.8
[M+NH4]+ 212.11822 158.5
[M+K]+ 233.04756 143.8
[M+H-H2O]+ 177.08166 131.1
[M+HCOO]- 239.08260 161.9
[M+CH3COO]- 253.09825 152.2
[M+Na-2H]- 215.05907 150.1
[M]+ 194.08385 138.3
[M]- 194.08495 138.3
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