CID 4939

Propidium

Structural Information

Molecular Formula
C27H34N4
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

compound 2d structure
4
Annotation Hits

11785
References

83787
Patents

414.27835 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.28563 203.0
[M+Na]+ 437.26757 222.4
[M+NH4]+ 432.31217 213.8
[M+K]+ 453.24151 212.8
[M-H]- 413.27107 214.4
[M+Na-2H]- 435.25302 213.9
[M]+ 414.27780 210.1
[M]- 414.27890 210.1
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