CID 3066148

Rd 2611

Structural Information

Molecular Formula
C17H20N3
SMILES
CCC1=C2C=C(C=CC2=C3C=CC(=CC3=[N+]1CC)N)N
InChI
InChI=1S/C17H19N3/c1-3-16-15-9-11(18)5-7-13(15)14-8-6-12(19)10-17(14)20(16)4-2/h5-10,19H,3-4,18H2,1-2H3/p+1
InChIKey
NHTMTPHAAJCDNJ-UHFFFAOYSA-O
Compound name
5,6-diethylphenanthridin-5-ium-3,8-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1657 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17298 159.8
[M+Na]+ 289.15492 177.6
[M+NH4]+ 284.19952 170.4
[M+K]+ 305.12886 169.3
[M-H]- 265.15842 166.9
[M+Na-2H]- 287.14037 168.3
[M]+ 266.16515 164.9
[M]- 266.16625 164.9
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

No patent data available for this compound.