CID 11506715

1-(phenanthridin-6-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C14H12N2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N=C2CN
InChI
InChI=1S/C14H12N2/c15-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)16-14/h1-8H,9,15H2
InChIKey
VMEGXCFNOZAQFJ-UHFFFAOYSA-N
Compound name
phenanthridin-6-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

208.10005 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.107326 143.1
[M+Na]+ 231.089268 153.4
[M-H]- 207.092774 147.3
[M+NH4]+ 226.133873 162.6
[M+K]+ 247.063208 147.8
[M+H-H2O]+ 191.097310 135.6
[M+HCOO]- 253.098251 166.3
[M+CH3COO]- 267.113901 156.5
[M+Na-2H]- 229.074716 154.2
[M]+ 208.09950142 143.4
[M]- 208.10059858 143.4
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

patents stripe