CID 153043

Rd 1446

Structural Information

Molecular Formula
C22H20N3
SMILES
C=CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N
InChI
InChI=1S/C22H19N3/c1-2-12-25-21-14-17(24)9-11-19(21)18-10-8-16(23)13-20(18)22(25)15-6-4-3-5-7-15/h2-11,13-14,24H,1,12,23H2/p+1
InChIKey
LJFZCXZBDOMCOC-UHFFFAOYSA-O
Compound name
6-phenyl-5-prop-2-enylphenanthridin-5-ium-3,8-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1657 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17298 181.8
[M+Na]+ 349.15492 191.3
[M-H]- 325.15842 188.8
[M+NH4]+ 344.19952 195.4
[M+K]+ 365.12886 177.2
[M+H-H2O]+ 309.16296 174.6
[M+HCOO]- 371.16390 203.2
[M+CH3COO]- 385.17955 210.8
[M+Na-2H]- 347.14037 190.1
[M]+ 326.16515 179.9
[M]- 326.16625 179.9
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.