CID 37395

Icr 378

Structural Information

Molecular Formula
C19H21ClN2OS
SMILES
COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCCSCCCl
InChI
InChI=1S/C19H21ClN2OS/c1-23-14-7-8-18-16(13-14)19(21-10-4-11-24-12-9-20)15-5-2-3-6-17(15)22-18/h2-3,5-8,13H,4,9-12H2,1H3,(H,21,22)
InChIKey
JKZAUMXLZORDAZ-UHFFFAOYSA-N
Compound name
N-[3-(2-chloroethylsulfanyl)propyl]-2-methoxyacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.10632 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11360 179.6
[M+Na]+ 383.09554 189.2
[M-H]- 359.09904 183.3
[M+NH4]+ 378.14014 194.8
[M+K]+ 399.06948 181.4
[M+H-H2O]+ 343.10358 172.1
[M+HCOO]- 405.10452 192.2
[M+CH3COO]- 419.12017 190.1
[M+Na-2H]- 381.08099 185.5
[M]+ 360.10577 188.7
[M]- 360.10687 188.7
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.