CID 5275855

8-guanidino ethidium

Structural Information

Molecular Formula
C22H22N5
SMILES
CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=C(N)N)N
InChI
InChI=1S/C22H21N5/c1-2-27-20-12-15(23)8-10-18(20)17-11-9-16(26-22(24)25)13-19(17)21(27)14-6-4-3-5-7-14/h3-13,23H,2H2,1H3,(H4,24,25,26)/p+1
InChIKey
NDQMGJNAMQITEO-UHFFFAOYSA-O
Compound name
2-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.18753 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19481 186.1
[M+Na]+ 379.17675 194.0
[M-H]- 355.18025 193.9
[M+NH4]+ 374.22135 198.2
[M+K]+ 395.15069 181.4
[M+H-H2O]+ 339.18479 178.4
[M+HCOO]- 401.18573 209.4
[M+CH3COO]- 415.20138 222.9
[M+Na-2H]- 377.16220 194.4
[M]+ 356.18698 183.3
[M]- 356.18808 183.3
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.