CID 57535

99711-15-6

Structural Information

Molecular Formula
C19H20Cl2N2OS
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCSCCCl
InChI
InChI=1S/C19H20Cl2N2OS/c1-24-14-4-6-17-16(12-14)19(22-8-2-9-25-10-7-20)15-5-3-13(21)11-18(15)23-17/h3-6,11-12H,2,7-10H2,1H3,(H,22,23)
InChIKey
ASMGVJRHXVMGHB-UHFFFAOYSA-N
Compound name
6-chloro-N-[3-(2-chloroethylsulfanyl)propyl]-2-methoxyacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.06735 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.07463 185.0
[M+Na]+ 417.05657 195.5
[M-H]- 393.06007 188.4
[M+NH4]+ 412.10117 199.5
[M+K]+ 433.03051 187.2
[M+H-H2O]+ 377.06461 178.5
[M+HCOO]- 439.06555 192.5
[M+CH3COO]- 453.08120 195.0
[M+Na-2H]- 415.04202 189.4
[M]+ 394.06680 195.6
[M]- 394.06790 195.6
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.