CID 65410

Reduced ethidium

Structural Information

Molecular Formula
C21H21N3
SMILES
CCC1C(C2=C(C=CC(=C2)N)C3=CN=CC(=C13)N)C4=CC=CC=C4
InChI
InChI=1S/C21H21N3/c1-2-15-20(13-6-4-3-5-7-13)17-10-14(22)8-9-16(17)18-11-24-12-19(23)21(15)18/h3-12,15,20H,2,22-23H2,1H3
InChIKey
ZDWPSSBKIMIPMY-UHFFFAOYSA-N
Compound name
5-ethyl-6-phenyl-5,6-dihydrobenzo[h]isoquinoline-4,8-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

129
References

17
Patents

315.17355 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.18083 176.6
[M+Na]+ 338.16277 184.9
[M-H]- 314.16627 182.8
[M+NH4]+ 333.20737 191.0
[M+K]+ 354.13671 177.3
[M+H-H2O]+ 298.17081 167.0
[M+HCOO]- 360.17175 195.9
[M+CH3COO]- 374.18740 186.8
[M+Na-2H]- 336.14822 181.5
[M]+ 315.17300 173.3
[M]- 315.17410 173.3
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

patents stripe