CID 2762650

8-azidoethidium

Structural Information

Molecular Formula

C₂₁H₁₈N₅

SMILES

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=[N+]=[N-])N

InChI

InChI=1S/C21H17N5/c1-2-26-20-12-15(22)8-10-18(20)17-11-9-16(24-25-23)13-19(17)21(26)14-6-4-3-5-7-14/h3-13,22H,2H2,1H3/p+1

InChIKey

IMFJTOBLMOJLDM-UHFFFAOYSA-O

Compound name

8-azido-5-ethyl-6-phenylphenanthridin-5-ium-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 127
References: 28
Patents: 340.15622 Da
Monoisotopic Mass: 5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	341.16350	180.6
[M+Na]+	363.14544	188.3
[M-H]-	339.14894	190.0
[M+NH4]+	358.19004	193.5
[M+K]+	379.11938	171.4
[M+H-H2O]+	323.15348	176.3
[M+HCOO]-	385.15442	207.5
[M+CH3COO]-	399.17007	214.4
[M+Na-2H]-	361.13089	193.9
[M]+	340.15567	178.4
[M]-	340.15677	178.4

Literature stripe

literature stripe

Patent stripe

patents stripe