CID 166482

Compound 73-638

Structural Information

Molecular Formula
C24H26N3
SMILES
C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N(C)C)N(C)C
InChI
InChI=1S/C24H26N3/c1-25(2)18-11-13-20-21-14-12-19(26(3)4)16-23(21)27(5)24(22(20)15-18)17-9-7-6-8-10-17/h6-16H,1-5H3/q+1
InChIKey
KIOHBYQYDOLWFF-UHFFFAOYSA-N
Compound name
3-N,3-N,8-N,8-N,5-pentamethyl-6-phenylphenanthridin-5-ium-3,8-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.21268 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21996 191.9
[M+Na]+ 379.20190 200.0
[M-H]- 355.20540 202.1
[M+NH4]+ 374.24650 205.8
[M+K]+ 395.17584 189.5
[M+H-H2O]+ 339.20994 183.3
[M+HCOO]- 401.21088 214.3
[M+CH3COO]- 415.22653 225.0
[M+Na-2H]- 377.18735 199.3
[M]+ 356.21213 195.1
[M]- 356.21323 195.1
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.