CID 148979

3,8-diamino-5-ethyl-6-methylphenanthridinium bromide

Structural Information

Molecular Formula
C16H18N3
SMILES
CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C)N)N
InChI
InChI=1S/C16H17N3/c1-3-19-10(2)15-8-11(17)4-6-13(15)14-7-5-12(18)9-16(14)19/h4-9,18H,3,17H2,1-2H3/p+1
InChIKey
DINQFGXYZLYRRH-UHFFFAOYSA-O
Compound name
5-ethyl-6-methylphenanthridin-5-ium-3,8-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.15007 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.15735 155.1
[M+Na]+ 275.13929 173.1
[M+NH4]+ 270.18389 165.9
[M+K]+ 291.11323 165.1
[M-H]- 251.14279 162.3
[M+Na-2H]- 273.12474 163.9
[M]+ 252.14952 160.3
[M]- 252.15062 160.3
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

No patent data available for this compound.