CID 3041547

Rd 1470

Structural Information

Molecular Formula
C25H28N3
SMILES
CCCCCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N
InChI
InChI=1S/C25H27N3/c1-2-3-4-8-15-28-24-17-20(27)12-14-22(24)21-13-11-19(26)16-23(21)25(28)18-9-6-5-7-10-18/h5-7,9-14,16-17,27H,2-4,8,15,26H2,1H3/p+1
InChIKey
JGEYOPWZJSMYMG-UHFFFAOYSA-O
Compound name
5-hexyl-6-phenylphenanthridin-5-ium-3,8-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

370.22833 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.23561 196.4
[M+Na]+ 393.21755 204.2
[M-H]- 369.22105 202.7
[M+NH4]+ 388.26215 208.2
[M+K]+ 409.19149 190.1
[M+H-H2O]+ 353.22559 188.4
[M+HCOO]- 415.22653 216.5
[M+CH3COO]- 429.24218 220.4
[M+Na-2H]- 391.20300 203.1
[M]+ 370.22778 196.0
[M]- 370.22888 196.0
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

patents stripe