PubChemLite - Propidium (C27H34N4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1

InChIKey

ZDWVWKDAWBGPDN-UHFFFAOYSA-O

Compound name

3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium

Related CIDs

2D Structure

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]+	415.28563	207.6
[M+Na]+	437.26757	213.4
[M-H]-	413.27107	214.8
[M+NH4]+	432.31217	217.6
[M+K]+	453.24151	195.1
[M+H-H2O]+	397.27561	201.8
[M+HCOO]-	459.27655	226.7
[M+CH3COO]-	473.29220	227.4
[M+Na-2H]-	435.25302	217.4
[M]+	414.27780	206.8
[M]-	414.27890	206.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

415.28563

207.6

[M+Na]+

437.26757

213.4

[M-H]-

413.27107

214.8

[M+NH4]+

432.31217

217.6

[M+K]+

453.24151

195.1

[M+H-H2O]+

397.27561

201.8

[M+HCOO]-

459.27655

226.7

[M+CH3COO]-

473.29220

227.4

[M+Na-2H]-

435.25302

217.4

[M]+

414.27780

206.8

[M]-

414.27890

206.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Propidium

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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