CID 199434

M & b 5853

Structural Information

Molecular Formula
C28H25N6
SMILES
CC[N+]1=C(C2=C(C=CC(=C2)N=NNC3=CC=CC(=C3)C(=N)N)C4=CC=CC=C41)C5=CC=CC=C5
InChI
InChI=1S/C28H25N6/c1-2-34-26-14-7-6-13-24(26)23-16-15-22(18-25(23)27(34)19-9-4-3-5-10-19)32-33-31-21-12-8-11-20(17-21)28(29)30/h3-18H,2H2,1H3,(H3,29,30)(H,31,32)/q+1
InChIKey
LNTLZFFFPDMZNS-UHFFFAOYSA-N
Compound name
3-[2-(5-ethyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.21408 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.22136 208.8
[M+Na]+ 468.20330 227.0
[M+NH4]+ 463.24790 218.1
[M+K]+ 484.17724 216.1
[M-H]- 444.20680 222.0
[M+Na-2H]- 466.18875 221.9
[M]+ 445.21353 215.6
[M]- 445.21463 215.6
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.