CID 5275860

3-pyrrole ethidium

Structural Information

Molecular Formula
C25H22N3
SMILES
CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N5C=CC=C5
InChI
InChI=1S/C25H22N3/c1-2-28-24-17-20(27-14-6-7-15-27)11-13-22(24)21-12-10-19(26)16-23(21)25(28)18-8-4-3-5-9-18/h3-17H,2,26H2,1H3/q+1
InChIKey
LXBVKSFQQQCNCX-UHFFFAOYSA-N
Compound name
5-ethyl-6-phenyl-3-pyrrol-1-ylphenanthridin-5-ium-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.18137 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18865 194.4
[M+Na]+ 387.17059 203.9
[M-H]- 363.17409 203.7
[M+NH4]+ 382.21519 206.8
[M+K]+ 403.14453 189.4
[M+H-H2O]+ 347.17863 185.6
[M+HCOO]- 409.17957 214.7
[M+CH3COO]- 423.19522 204.2
[M+Na-2H]- 385.15604 200.5
[M]+ 364.18082 194.1
[M]- 364.18192 194.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.