CID 9578368

Phenanthridinium, 3-amino-8-(3-(3-(((aminoiminomethyl)hydrazono)methyl)phenyl)-1-triazenyl)-5-ethyl-6-phenyl-, chloride, monohydrochloride

Structural Information

Molecular Formula
C29H28N9
SMILES
CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=NNC5=CC=CC(=C5)/C=N/N=C(N)N)N
InChI
InChI=1S/C29H27N9/c1-2-38-27-16-21(30)11-13-25(27)24-14-12-23(17-26(24)28(38)20-8-4-3-5-9-20)35-37-34-22-10-6-7-19(15-22)18-33-36-29(31)32/h3-18,30H,2H2,1H3,(H5,31,32,34,35,36)/p+1/b33-18+
InChIKey
MSDIDVOPKXSRDL-DPNNOFEESA-O
Compound name
2-[(E)-[3-[2-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]phenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.24677 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.25405 220.6
[M+Na]+ 525.23599 235.4
[M+NH4]+ 520.28059 228.1
[M+K]+ 541.20993 225.8
[M-H]- 501.23949 234.6
[M+Na-2H]- 523.22144 232.1
[M]+ 502.24622 226.8
[M]- 502.24732 226.8
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.