CID 5275862

3,8-bis pyrrole ethidium

Structural Information

Molecular Formula
C29H24N3
SMILES
CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N5C=CC=C5)N6C=CC=C6
InChI
InChI=1S/C29H24N3/c1-2-32-28-21-24(31-18-8-9-19-31)13-15-26(28)25-14-12-23(30-16-6-7-17-30)20-27(25)29(32)22-10-4-3-5-11-22/h3-21H,2H2,1H3/q+1
InChIKey
LFKAURJYIXXKFR-UHFFFAOYSA-N
Compound name
5-ethyl-6-phenyl-3,8-di(pyrrol-1-yl)phenanthridin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.19702 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.20430 209.7
[M+Na]+ 437.18624 220.0
[M-H]- 413.18974 221.8
[M+NH4]+ 432.23084 220.5
[M+K]+ 453.16018 204.7
[M+H-H2O]+ 397.19428 199.6
[M+HCOO]- 459.19522 229.8
[M+CH3COO]- 473.21087 219.0
[M+Na-2H]- 435.17169 213.0
[M]+ 414.19647 212.1
[M]- 414.19757 212.1
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.