CID 3066552

Rd 2482

Structural Information

Molecular Formula
C19H18N3S
SMILES
CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CS4)N)N
InChI
InChI=1S/C19H17N3S/c1-2-22-17-11-13(21)6-8-15(17)14-7-5-12(20)10-16(14)19(22)18-4-3-9-23-18/h3-11,21H,2,20H2,1H3/p+1
InChIKey
PJZPCSDIQWBQKU-UHFFFAOYSA-O
Compound name
5-ethyl-6-thiophen-2-ylphenanthridin-5-ium-3,8-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.12213 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12941 168.1
[M+Na]+ 343.11135 185.9
[M+NH4]+ 338.15595 179.6
[M+K]+ 359.08529 177.1
[M-H]- 319.11485 177.2
[M+Na-2H]- 341.09680 177.9
[M]+ 320.12158 174.3
[M]- 320.12268 174.3
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.