CID 3040630

52705-84-7

Structural Information

Molecular Formula
C21H20N3
SMILES
C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1CC4=CC=CC=C4)N)N
InChI
InChI=1S/C21H19N3/c1-24-20(11-14-5-3-2-4-6-14)19-12-15(22)7-9-17(19)18-10-8-16(23)13-21(18)24/h2-10,12-13,23H,11,22H2,1H3/p+1
InChIKey
NDRWKNFJTFRCKG-UHFFFAOYSA-O
Compound name
6-benzyl-5-methylphenanthridin-5-ium-3,8-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1657 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17298 173.8
[M+Na]+ 337.15492 193.7
[M+NH4]+ 332.19952 184.9
[M+K]+ 353.12886 183.8
[M-H]- 313.15842 183.6
[M+Na-2H]- 335.14037 185.1
[M]+ 314.16515 180.1
[M]- 314.16625 180.1
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.