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 207.4
[M+Na]+ 468.20330 213.1
[M-H]- 444.20680 219.2
[M+NH4]+ 463.24790 215.4
[M+K]+ 484.17724 200.1
[M+H-H2O]+ 428.21134 196.7
[M+HCOO]- 490.21228 233.0
[M+CH3COO]- 504.22793 244.0
[M+Na-2H]- 466.18875 218.2
[M]+ 445.21353 206.0
[M]- 445.21463 206.0
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.