CID 5275856

3,8-bis-guanidino ethidium

Structural Information

Molecular Formula
C23H24N7
SMILES
CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=C(N)N)N=C(N)N
InChI
InChI=1S/C23H23N7/c1-2-30-20-13-16(29-23(26)27)9-11-18(20)17-10-8-15(28-22(24)25)12-19(17)21(30)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H7,24,25,26,27,28)/p+1
InChIKey
GGZGFDKQIBCEFD-UHFFFAOYSA-O
Compound name
2-[3-(diaminomethylideneamino)-5-ethyl-6-phenylphenanthridin-5-ium-8-yl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.20932 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.21660 193.1
[M+Na]+ 421.19854 199.2
[M-H]- 397.20204 201.5
[M+NH4]+ 416.24314 203.0
[M+K]+ 437.17248 187.8
[M+H-H2O]+ 381.20658 184.8
[M+HCOO]- 443.20752 218.0
[M+CH3COO]- 457.22317 237.4
[M+Na-2H]- 419.18399 201.0
[M]+ 398.20877 189.0
[M]- 398.20987 189.0
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.