CID 199438

M&b 4261

Structural Information

Molecular Formula
C28H26N7
SMILES
CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)NN=NC5=CC=C(C=C5)C(=N)N)N
InChI
InChI=1S/C28H25N7/c1-2-35-26-16-20(29)10-14-24(26)23-15-13-22(17-25(23)27(35)18-6-4-3-5-7-18)33-34-32-21-11-8-19(9-12-21)28(30)31/h3-17,29H,2H2,1H3,(H4,30,31,32,33)/p+1
InChIKey
YGSCJFFWBAJOOK-UHFFFAOYSA-O
Compound name
4-[[(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)amino]diazenyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.22498 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.23226 212.2
[M+Na]+ 483.21420 229.1
[M+NH4]+ 478.25880 220.8
[M+K]+ 499.18814 219.1
[M-H]- 459.21770 225.4
[M+Na-2H]- 481.19965 224.1
[M]+ 460.22443 218.7
[M]- 460.22553 218.7
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.