CID 38137

Icr 317

Structural Information

Molecular Formula
C18H19ClN2S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCSCCCl
InChI
InChI=1S/C18H19ClN2S/c19-10-13-22-12-5-11-20-18-14-6-1-3-8-16(14)21-17-9-4-2-7-15(17)18/h1-4,6-9H,5,10-13H2,(H,20,21)
InChIKey
OKTFOVITMUVOEW-UHFFFAOYSA-N
Compound name
N-[3-(2-chloroethylsulfanyl)propyl]acridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

330.09573 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10301 171.1
[M+Na]+ 353.08495 180.6
[M-H]- 329.08845 174.7
[M+NH4]+ 348.12955 187.4
[M+K]+ 369.05889 172.3
[M+H-H2O]+ 313.09299 163.8
[M+HCOO]- 375.09393 183.9
[M+CH3COO]- 389.10958 182.0
[M+Na-2H]- 351.07040 178.1
[M]+ 330.09518 178.1
[M]- 330.09628 178.1
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

patents stripe