CID 199436

M & b 4415

Structural Information

Molecular Formula
C27H24N7
SMILES
C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=NNC5=CC=CC(=C5)C(=N)N)N
InChI
InChI=1S/C27H23N7/c1-34-25-15-19(28)10-12-23(25)22-13-11-21(16-24(22)26(34)17-6-3-2-4-7-17)32-33-31-20-9-5-8-18(14-20)27(29)30/h2-16,28H,1H3,(H4,29,30,31,32)/p+1
InChIKey
UMSIEHWTZHSRHC-UHFFFAOYSA-O
Compound name
3-[2-(3-amino-5-methyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.20932 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.21660 207.7
[M+Na]+ 469.19854 224.8
[M+NH4]+ 464.24314 216.5
[M+K]+ 485.17248 215.1
[M-H]- 445.20204 221.0
[M+Na-2H]- 467.18399 220.0
[M]+ 446.20877 214.3
[M]- 446.20987 214.3
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

No patent data available for this compound.