CID 38143

Icr 427

Structural Information

Molecular Formula
C18H19ClN2OS
SMILES
COC1=CC=CC2=C(C3=CC=CC=C3N=C21)NCCSCCCl
InChI
InChI=1S/C18H19ClN2OS/c1-22-16-8-4-6-14-17(20-10-12-23-11-9-19)13-5-2-3-7-15(13)21-18(14)16/h2-8H,9-12H2,1H3,(H,20,21)
InChIKey
GEMDZUCAVCUTHQ-UHFFFAOYSA-N
Compound name
N-[2-(2-chloroethylsulfanyl)ethyl]-4-methoxyacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.09067 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.09795 175.2
[M+Na]+ 369.07989 185.2
[M-H]- 345.08339 179.1
[M+NH4]+ 364.12449 191.0
[M+K]+ 385.05383 177.7
[M+H-H2O]+ 329.08793 167.9
[M+HCOO]- 391.08887 188.1
[M+CH3COO]- 405.10452 186.2
[M+Na-2H]- 367.06534 181.6
[M]+ 346.09012 184.0
[M]- 346.09122 184.0
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

No patent data available for this compound.