CID 38135

Icr 316

Structural Information

Molecular Formula
C17H17ClN2S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCSCCCl
InChI
InChI=1S/C17H17ClN2S/c18-9-11-21-12-10-19-17-13-5-1-3-7-15(13)20-16-8-4-2-6-14(16)17/h1-8H,9-12H2,(H,19,20)
InChIKey
UMCBJGJMPCMPFJ-UHFFFAOYSA-N
Compound name
N-[2-(2-chloroethylsulfanyl)ethyl]acridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0801 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.08738 166.7
[M+Na]+ 339.06932 176.6
[M-H]- 315.07282 170.5
[M+NH4]+ 334.11392 183.5
[M+K]+ 355.04326 168.6
[M+H-H2O]+ 299.07736 159.6
[M+HCOO]- 361.07830 179.8
[M+CH3COO]- 375.09395 178.0
[M+Na-2H]- 337.05477 174.2
[M]+ 316.07955 173.4
[M]- 316.08065 173.4
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.