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 163.8
[M+Na]+ 289.15492 174.2
[M-H]- 265.15842 168.3
[M+NH4]+ 284.19952 180.8
[M+K]+ 305.12886 162.4
[M+H-H2O]+ 249.16296 158.7
[M+HCOO]- 311.16390 185.7
[M+CH3COO]- 325.17955 200.5
[M+Na-2H]- 287.14037 172.6
[M]+ 266.16515 163.5
[M]- 266.16625 163.5
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.