CID 3624

Ethidium

Structural Information

Molecular Formula
C21H20N3
SMILES
CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N
InChI
InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1
InChIKey
QTANTQQOYSUMLC-UHFFFAOYSA-O
Compound name
5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

16070
References

141848
Patents

314.1657 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17298 173.8
[M+Na]+ 337.15492 193.7
[M+NH4]+ 332.19952 184.9
[M+K]+ 353.12886 183.8
[M-H]- 313.15842 183.6
[M+Na-2H]- 335.14037 185.1
[M]+ 314.16515 180.1
[M]- 314.16625 180.1
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